data_2eo6_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 2eo6 _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 ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.749 0.309 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.75 -47.54 30.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -58.17 -40.15 80.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -52.24 -42.44 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.32 -37.19 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -96.29 24.64 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.0 mt -130.15 -31.7 1.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.5 mt -63.25 127.1 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.33 -35.25 5.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 66.1 mmtt -44.12 136.87 3.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.54 12.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.307 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.576 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 23.8 p-90 -113.29 -21.9 10.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 43.4 t80 -67.26 98.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.47 -21.29 66.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.524 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 73.74 -155.15 49.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.86 43.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.55 149.55 24.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -49.04 144.66 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 20.3 ttp180 -58.43 -49.78 76.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -50.95 -49.72 59.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.414 ' HB3' ' CG2' ' A' ' 134' ' ' VAL . 45.2 m -52.73 -43.55 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.45 -43.81 68.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -69.31 -43.08 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.23 -56.79 16.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.46 -26.61 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' CD1' HG13 ' A' ' 65' ' ' VAL . 46.5 mt -82.45 -51.98 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.407 ' NE2' HG21 ' A' ' 72' ' ' VAL . 22.1 m-70 -55.98 -32.24 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 42' ' ' SER . 5.3 ptm180 -71.73 -30.0 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 46.9 t -64.51 -52.7 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.7 t30 63.66 41.05 7.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -134.79 87.13 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.469 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -42.57 108.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.78 -16.74 3.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.528 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.8 m -67.1 155.15 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 110.847 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 128' ' ' LEU . 37.2 p90 -150.51 167.49 27.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.467 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 2.1 pp -172.19 126.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.4 mm -88.23 127.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 13.0 ptt180 -117.58 119.05 33.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -49.18 136.94 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.2 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.641 0.734 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.7 -48.15 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.474 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 35.7 m-85 -139.48 176.41 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.4 m -145.77 127.23 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.6 tp -87.04 140.8 29.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 39' ' ' LEU . 11.5 t -130.29 98.87 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.25 117.52 29.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -83.87 133.38 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.1 t80 -120.77 179.49 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.469 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 1.3 t30 -41.92 91.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' PHE . 25.0 mmtp 56.11 41.96 28.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.437 ' HG2' ' C ' ' A' ' 70' ' ' LYS . 20.6 mmt85 -146.28 165.47 29.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.407 HG21 ' NE2' ' A' ' 40' ' ' HIS . 34.7 t -142.42 119.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -118.02 112.93 20.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -104.1 97.28 7.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.5 mt -90.95 131.61 36.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 126.41 13.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.303 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -95.59 82.26 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.6 mtt85 -64.45 159.09 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 22.4 t80 -127.92 106.02 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.29 89.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.177 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 82' ' ' ALA . 24.7 tt0 -50.48 -41.11 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -33.98 -44.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.1 p -123.53 4.32 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 36.1 mmtt 60.65 35.67 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -106.43 178.71 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -126.31 147.65 49.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -141.78 164.33 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.426 ' N ' HD22 ' A' ' 88' ' ' LEU . 4.3 mm? -105.77 139.93 39.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.865 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.504 ' CD2' HG12 ' A' ' 104' ' ' ILE . 54.4 m-85 -102.85 169.82 8.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.32 -29.18 15.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -157.54 169.07 25.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.56 -47.03 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.09 -39.39 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.47 -41.86 90.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.517 ' O ' ' CG ' ' A' ' 108' ' ' HIS . 77.1 mt -54.14 -35.05 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.417 HG11 ' CZ ' ' A' ' 48' ' ' PHE . 96.9 t -83.31 -47.08 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -56.67 -52.29 65.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -63.9 -40.32 96.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -63.38 -43.38 97.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' HIS . 21.1 mt-30 -34.96 -41.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -102.02 -43.15 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -84.13 133.45 45.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.18 49.77 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 30.9 tp -113.39 92.83 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 85.8 t -48.4 126.43 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.5 p -98.99 162.77 12.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.0 t -158.89 131.9 7.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -82.56 121.14 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 59.5 mt -41.74 117.43 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -120.96 -40.67 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -107.44 158.8 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -132.67 97.17 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.9 t -101.8 104.64 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -100.36 126.56 46.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 34' ' ' SER . 8.5 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.07 -37.53 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -66.65 -45.02 80.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -47.07 -45.03 21.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.83 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.9 18.47 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 mt -123.2 -31.63 3.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 mt -61.48 125.89 25.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.54 -35.44 4.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -49.04 137.01 14.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.557 0.694 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.02 17.58 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CZ3' HG13 ' A' ' 50' ' ' ILE . 37.9 p-90 -111.28 -30.21 7.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.447 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 18.7 t80 -62.03 97.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.43 -17.07 63.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 74.75 -153.44 45.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.17 42.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.75 150.27 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.77 144.92 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -58.94 -49.93 75.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -48.04 -53.7 15.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -50.03 -38.18 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.6 -50.1 75.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.14 -36.26 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -69.79 -51.63 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.84 -24.72 24.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' CD1' HG11 ' A' ' 65' ' ' VAL . 39.8 mt -89.0 -48.92 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.417 ' NE2' HG21 ' A' ' 72' ' ' VAL . 21.2 m-70 -60.5 -29.51 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 42' ' ' SER . 8.0 ptm180 -72.72 -40.79 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 8.9 t -55.91 -50.13 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.451 ' ND2' ' HZ2' ' A' ' 70' ' ' LYS . 35.9 t-20 66.56 46.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -132.76 83.59 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.08 120.26 1.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.14 -18.35 8.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 m -58.54 155.98 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.39 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 34.1 p90 -151.61 153.7 34.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' C ' ' CD1' ' A' ' 49' ' ' LEU . 1.2 pp -159.93 135.65 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.517 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 23.5 mm -96.11 130.34 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.0 ptt85 -119.89 125.48 48.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -59.56 141.01 55.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.451 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.7 -45.11 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.487 ' CD2' HG22 ' A' ' 101' ' ' VAL . 20.5 m-85 -141.34 174.05 10.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.2 m -144.21 126.07 15.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.172 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 tp -85.12 131.99 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.46 HG11 ' CD1' ' A' ' 39' ' ' LEU . 46.3 t -119.36 102.13 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.82 121.17 30.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -87.05 115.96 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -102.64 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.4 91.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' PHE . 72.0 mmtt 61.17 40.95 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.404 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 32.5 mtp180 -153.9 158.49 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.427 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 54.0 t -135.63 120.75 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -110.83 119.38 38.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.94 98.92 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.0 mt -94.38 121.52 63.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 127.73 15.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.2 t -98.62 85.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -74.97 153.34 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -117.71 123.92 47.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 mp -93.94 121.05 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' ALA . 34.5 tt0 -76.82 -35.94 57.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -37.24 -39.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.1 p -128.07 -3.38 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt 67.79 41.52 2.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -118.52 177.32 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -121.52 158.11 29.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.46 176.48 9.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 2.2 mm? -117.42 142.6 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.966 0.413 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 104' ' ' ILE . 85.7 m-85 -108.85 -75.14 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.12 -13.53 3.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 p -167.85 158.95 11.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.487 HG22 ' CD2' ' A' ' 62' ' ' TYR . 35.6 t -64.03 -43.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.53 -44.28 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -59.82 -42.08 92.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.57 ' HA ' ' CD1' ' A' ' 98' ' ' PHE . 63.2 mt -50.12 -41.68 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 94.9 t -81.01 -54.24 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -44.96 -37.94 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.487 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 3.2 m -75.17 -39.49 60.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.74 -12.33 52.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -67.71 -33.67 75.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -107.85 20.25 19.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 107' ' ' SER . 4.4 p30 -156.9 143.47 13.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.735 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.467 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 54.4 Cg_endo -69.72 141.82 46.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.8 tp -98.05 101.73 13.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 115' ' ' LEU . 4.6 p -55.45 135.39 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.432 ' N ' HG21 ' A' ' 114' ' ' VAL . 26.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.2 p -88.64 141.76 28.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.8 t -145.36 134.54 22.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 45.1 mtm180 -77.98 152.15 33.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.555 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 38.7 mt -81.76 111.74 18.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -110.7 -44.39 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.5 m-85 -103.96 150.47 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -130.26 98.5 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -99.89 119.01 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -107.08 132.05 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.181 179.838 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.768 0.318 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -55.2 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -53.76 -38.44 64.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -56.5 -40.67 75.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.25 -38.83 42.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.51 24.72 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.8 mt -128.75 -31.31 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.56 128.69 36.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.37 -34.65 5.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 40.7 mmtt -43.3 137.85 2.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.53 0.681 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -4.08 13.31 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.447 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 27.5 p-90 -114.71 -20.45 10.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.514 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 27.6 t80 -69.45 93.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.404 ' CB ' HD12 ' A' ' 49' ' ' LEU . . . -66.09 -22.03 66.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.514 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 81.32 -144.94 24.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.38 42.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.6 p -67.9 -177.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.55 156.19 16.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.86 -39.98 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -72.32 -59.73 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 m -41.03 -43.5 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.24 -52.89 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.61 -46.36 90.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 39' ' ' LEU . 31.4 mm-40 -55.69 -66.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.13 -26.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 65' ' ' VAL . 71.6 mt -84.37 -54.89 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.42 ' NE2' HG22 ' A' ' 72' ' ' VAL . 21.0 m-70 -56.21 -30.02 61.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 42' ' ' SER . 9.1 ptm180 -72.72 -32.05 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.452 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 22.9 t -64.46 -49.03 73.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 64.83 45.17 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.562 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 37.5 mtpt -134.83 81.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -35.74 126.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.54 -25.72 7.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 m -51.42 156.89 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 24.1 p90 -157.81 161.86 38.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 49' ' ' LEU . 3.4 pp -166.61 139.01 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.415 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 11.6 mm -95.13 120.86 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -112.09 123.59 50.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' SER . 49.5 tttm -62.26 140.22 58.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' LYS . 30.5 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -42.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.731 2.287 . . . . 0.0 112.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -144.36 178.69 7.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.9 m -151.0 126.95 10.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.409 HD21 ' CD1' ' A' ' 113' ' ' LEU . 24.3 tp -85.75 137.9 32.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 39' ' ' LEU . 8.4 t -123.48 100.24 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.59 119.83 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -85.8 118.19 25.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -104.13 176.05 5.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -46.51 89.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' PHE . 1.4 mmmp? 63.93 38.3 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -151.92 160.89 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.42 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 61.7 t -136.19 122.56 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -111.76 115.74 29.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -99.67 103.0 14.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.0 mt -99.26 122.56 51.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 118.44 5.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -88.58 80.44 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -59.11 163.27 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -131.71 111.34 11.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.61 90.21 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -51.65 -34.12 36.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.44 -38.25 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.9 p -124.71 6.57 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 54.33 29.2 10.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -104.52 -179.38 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.44 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 87.0 m-85 -128.05 146.13 50.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -135.43 160.89 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.1 136.92 41.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.869 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.914 0.388 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD1' HG12 ' A' ' 104' ' ' ILE . 63.4 m-85 -144.53 114.74 7.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.31 -40.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.44 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 m -149.36 -179.78 7.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.9 t -70.56 -48.16 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.168 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 66.1 t -47.58 -44.92 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -55.68 -46.64 77.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.565 HG12 ' CD1' ' A' ' 98' ' ' PHE . 74.2 mt -47.16 -38.84 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 94.7 t -81.58 -45.69 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -54.5 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -55.25 -44.47 75.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -52.22 -44.48 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 108' ' ' HIS . 68.2 mt-30 -31.18 -43.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -90.54 -46.02 8.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -91.61 124.51 60.57 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.639 0.733 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.33 47.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.409 ' CD1' HD21 ' A' ' 64' ' ' LEU . 3.4 tt -91.53 85.91 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.466 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 10.4 p -42.01 124.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.813 0.34 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 86.4 p -100.15 149.94 23.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.6 t -143.81 147.86 34.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -102.86 129.76 49.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.566 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 24.4 mt -53.42 104.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -109.21 -45.88 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.562 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.4 m-85 -103.09 149.71 24.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -122.16 93.82 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.99 104.67 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -98.96 127.73 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.83 0.348 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -43.63 98.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -58.95 -37.11 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -56.5 -38.62 72.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.32 -34.1 45.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.056 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.72 23.87 9.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.4 mt -126.34 -30.19 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.6 mt -65.77 125.4 25.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.41 -34.68 5.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.491 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 41.6 mmtt -45.24 137.14 5.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -6.64 19.09 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.491 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 19.6 p-90 -108.46 -28.48 9.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.509 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 28.9 t80 -61.04 97.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.954 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.77 -17.15 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.509 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 79.69 -138.63 20.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.85 37.29 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.177 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.1 p -63.12 174.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -93.26 166.1 12.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -60.66 -35.01 75.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -75.15 -66.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -38.46 -38.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.67 -49.15 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.067 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.97 -42.58 89.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.86 -60.2 4.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.92 -26.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.4 mt -85.14 -55.41 4.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.411 ' NE2' HG22 ' A' ' 72' ' ' VAL . 22.8 m-70 -56.28 -29.88 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -74.85 -36.7 62.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.1 t -58.14 -47.99 81.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 63.4 42.55 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.468 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 33.8 mtmt -134.31 82.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -35.49 132.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.9 -21.4 20.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -56.42 156.53 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 19.2 p90 -157.02 162.28 39.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.433 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 4.0 pp -168.4 127.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mm -83.94 124.62 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.6 ptt85 -116.51 121.76 42.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.36 146.67 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.897 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.635 0.731 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -47.66 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -139.53 173.01 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 64' ' ' LEU . 97.8 m -144.67 137.36 26.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.442 ' CD2' ' CD2' ' A' ' 113' ' ' LEU . 9.5 tp -92.52 145.98 24.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.4 t -134.17 96.2 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.45 118.64 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -84.02 114.73 21.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 124' ' ' ASP . 1.5 t80 -102.28 -179.82 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -47.02 91.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' PHE . 40.5 mmtt 58.45 33.97 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HG2' ' C ' ' A' ' 70' ' ' LYS . 27.1 mmt180 -144.15 156.88 44.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.411 HG22 ' NE2' ' A' ' 40' ' ' HIS . 49.0 t -133.81 120.87 38.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -112.08 117.05 31.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.33 102.16 13.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.5 mt -96.72 122.15 57.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.07 16.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.8 t -101.5 86.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -74.67 154.07 38.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -119.06 129.59 55.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.473 HG12 ' CE2' ' A' ' 97' ' ' TYR . 5.0 mp -103.23 114.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 82' ' ' ALA . 28.9 tt0 -66.0 -43.31 88.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.35 -56.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.6 p -110.71 8.1 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt 50.61 45.37 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -119.95 173.4 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 8.8 m-85 -118.96 146.06 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.568 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . . . -131.89 164.84 25.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -112.52 139.03 48.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.858 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.568 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 5.2 m-30 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.908 0.385 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CD1' HG12 ' A' ' 104' ' ' ILE . 3.1 m-85 -97.16 158.73 15.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.26 59.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.563 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 3.2 m -163.8 -178.77 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 110.876 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 87.1 t -59.52 -53.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.1 t -42.75 -43.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.46 -43.96 92.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.567 HG12 ' CD1' ' A' ' 98' ' ' PHE . 67.6 mt -50.48 -49.63 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.5 HG13 ' CE2' ' A' ' 48' ' ' PHE . 96.3 t -74.12 -59.32 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -39.81 -58.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -60.03 -42.54 94.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -57.64 -37.0 72.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -41.14 -42.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -100.08 -47.62 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.419 ' C ' ' HG2' ' A' ' 127' ' ' ARG . 36.0 m-80 -77.52 137.51 63.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 145.08 56.23 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.442 ' CD2' ' CD2' ' A' ' 64' ' ' LEU . 42.4 tp -110.78 80.88 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.436 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 8.6 p -42.48 131.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.5 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 11.5 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.436 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.1 p -77.58 139.31 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.2 t -145.46 142.11 28.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.419 ' HG2' ' C ' ' A' ' 111' ' ' ASN . 23.3 mtm180 -93.56 133.82 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.555 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 27.1 mt -55.71 116.71 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -117.73 -39.68 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.468 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 29.0 m-85 -107.66 150.05 27.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.63 98.77 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 78.7 t -102.25 104.93 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -98.83 119.5 37.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.873 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.803 0.335 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -54.63 41.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -45.81 -40.25 9.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -50.63 -39.6 50.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.05 -40.64 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -94.92 24.38 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -126.13 -31.62 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.1 134.72 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.03 -36.0 4.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.522 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 47.2 mmtt -44.93 134.7 5.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -4.66 14.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.522 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 20.3 p-90 -110.97 -21.52 11.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 33.1 t80 -67.45 95.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.73 -22.34 66.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 81.88 -152.94 32.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.13 47.07 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.56 169.62 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.48 150.77 38.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -59.67 -44.57 93.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -54.8 -57.75 10.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 m -50.33 -45.99 55.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -45.88 62.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -65.76 -44.73 84.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.73 -46.55 84.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.76 -29.95 63.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.0 mt -83.02 -54.14 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.431 ' CD2' HG22 ' A' ' 72' ' ' VAL . 24.0 m-70 -55.77 -30.24 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 42' ' ' SER . 5.1 ptm180 -73.29 -30.38 63.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 27.4 t -67.95 -49.42 61.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 65.42 46.43 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 45' ' ' ASP . 16.8 mtpp -134.71 82.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -35.91 129.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.77 -29.5 7.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -46.92 152.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 0.0 110.871 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 33.9 p90 -149.73 158.52 44.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 pp -163.43 142.76 8.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.437 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 17.4 mm -103.17 131.11 52.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -118.43 123.1 44.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.15 137.92 57.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.605 0.717 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -49.18 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.378 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -134.97 173.92 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.8 m -144.82 132.99 21.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 113' ' ' LEU . 56.0 tp -92.19 148.2 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 32.8 t -134.48 95.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.13 125.0 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.083 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -91.03 116.15 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -103.02 -177.32 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 34.4 p-10 -44.92 89.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 68' ' ' PHE . 28.7 mmtp 58.52 37.75 25.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -147.45 159.94 43.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 58.2 t -131.24 123.71 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -115.04 109.75 18.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -96.3 101.06 12.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.0 mt -95.01 131.65 29.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 126.04 12.82 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -96.52 85.8 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -62.91 158.65 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -118.71 129.83 55.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.4 mm -99.73 75.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' ALA . 13.3 tt0 -43.36 -46.95 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -36.5 -46.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 p -124.73 19.91 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt 47.06 39.78 8.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.424 ' CD ' ' HB3' ' A' ' 97' ' ' TYR . 28.1 mt-30 -106.83 -174.04 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.486 ' CZ ' HG22 ' A' ' 101' ' ' VAL . 85.5 m-85 -136.48 149.29 48.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.421 ' C ' HD23 ' A' ' 88' ' ' LEU . . . -126.12 178.22 5.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 87' ' ' ALA . 3.8 mm? -126.53 139.1 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.424 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 18.8 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.468 ' CG ' HG12 ' A' ' 104' ' ' ILE . 80.4 m-85 -112.29 124.9 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -36.24 -43.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -155.81 170.85 21.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.486 HG22 ' CZ ' ' A' ' 86' ' ' TYR . 93.2 t -55.33 -49.87 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.3 t -53.06 -38.96 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.65 -40.27 91.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.468 HG12 ' CG ' ' A' ' 98' ' ' PHE . 86.2 mt -54.94 -41.07 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.2 t -76.48 -47.72 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -56.71 -39.54 74.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.5 t -67.84 -53.84 23.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.462 ' O ' ' C ' ' A' ' 109' ' ' GLN . 5.3 m-70 -49.88 -37.49 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' HIS . 64.1 mt-30 -32.79 -41.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.408 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 36.6 m-70 -93.53 -51.89 4.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -91.85 132.45 32.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.437 ' HB2' ' N ' ' A' ' 126' ' ' THR . 53.9 Cg_endo -69.72 138.45 37.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.733 2.288 . . . . 0.0 112.319 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.464 ' CD2' HD21 ' A' ' 64' ' ' LEU . 35.4 tp -78.09 87.01 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.445 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.1 p -39.86 141.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.445 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 52.5 p -98.0 141.44 30.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' THR . . . . . 0.437 ' N ' ' HB2' ' A' ' 112' ' ' PRO . 4.5 t -144.46 139.8 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 110' ' ' HIS . 39.7 mtm180 -84.02 138.66 32.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.554 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 46.2 mt -65.97 104.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -104.39 -45.86 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -104.31 146.62 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -125.9 94.65 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 93.7 t -96.75 128.75 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -112.23 137.07 50.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.749 0.309 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.54 -42.69 74.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.402 ' C ' HD12 ' A' ' 20' ' ' LEU . 10.5 mm100 -53.71 -40.48 66.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 1.4 tm-20 -54.77 -36.75 65.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.63 69.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -95.44 28.8 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 17' ' ' GLU . 22.2 mt -129.43 -29.51 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.5 mt -62.86 136.66 57.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.51 -36.25 4.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.518 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 66.2 mmtt -45.85 135.42 6.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -4.63 14.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.518 ' CE2' ' HB3' ' A' ' 23' ' ' LYS . 19.5 p-90 -111.08 -24.49 10.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.496 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 22.7 t80 -64.49 92.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.25 -20.59 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.496 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 80.23 -161.84 45.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.37 44.13 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.724 0.297 . . . . 0.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.79 174.84 9.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.83 162.53 23.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HG3' ' NH1' ' A' ' 51' ' ' ARG . 23.8 ttp180 -70.25 -42.37 72.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -54.09 -55.42 27.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.4 ' HB3' ' CG2' ' A' ' 134' ' ' VAL . 7.8 m -56.13 -40.92 74.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.52 87.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -74.05 -41.37 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.2 -51.45 66.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.95 -26.93 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 65' ' ' VAL . 51.1 mt -83.68 -52.62 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.425 ' NE2' HG22 ' A' ' 72' ' ' VAL . 18.5 m-70 -57.42 -31.48 65.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.0 ptm180 -71.44 -31.91 67.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 10.5 t -65.67 -43.4 89.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.4 t30 58.78 45.63 15.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.481 ' HD2' ' CE2' ' A' ' 130' ' ' TYR . 27.8 mtmt -134.8 81.11 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -36.3 126.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.46 -20.89 10.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -57.37 151.68 15.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 33.7 p90 -151.01 153.14 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.5 pp -156.88 133.48 10.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.47 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 9.0 mm -94.13 120.9 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.418 ' NH1' ' HG3' ' A' ' 32' ' ' ARG . 18.7 ptt180 -111.09 127.01 55.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -63.92 140.97 58.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.459 ' NE2' ' HB3' ' A' ' 76' ' ' PRO . 3.9 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.623 0.725 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.545 ' HB2' ' CD1' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.71 -44.38 2.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CD1' ' HB2' ' A' ' 61' ' ' PRO . 28.2 m-85 -145.54 174.91 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.0 m -142.13 121.33 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.4 tp -79.97 145.7 32.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 39' ' ' LEU . 15.4 t -133.53 96.94 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.64 120.51 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.037 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -87.02 118.52 26.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.3 t80 -105.06 -178.23 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -49.34 87.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' PHE . 22.8 mmmt 63.52 39.09 9.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -150.52 157.71 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.438 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 61.3 t -134.16 117.88 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -108.06 117.29 33.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.401 HD21 ' CG1' ' A' ' 65' ' ' VAL . 1.6 m120 -96.79 101.81 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.1 mt -100.82 122.11 50.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.459 ' HB3' ' NE2' ' A' ' 60' ' ' GLN . 54.2 Cg_endo -69.73 130.55 19.57 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.31 76.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 ttm-85 -56.13 158.73 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -122.73 102.19 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mp -78.37 93.27 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 82' ' ' ALA . 17.9 tt0 -57.55 -37.57 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -35.35 -39.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 p -129.38 2.02 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 63.94 40.05 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -119.36 174.21 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.519 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 9.7 m-85 -122.06 144.39 48.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -138.36 150.56 46.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.429 HD21 ' CG2' ' A' ' 104' ' ' ILE . 4.0 mm? -81.35 141.25 34.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 179.909 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.901 0.381 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CD1' HG12 ' A' ' 104' ' ' ILE . 59.2 m-85 -117.19 -46.21 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.13 -35.76 3.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.519 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 1.9 m -161.95 159.48 26.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.837 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 91.2 t -52.31 -48.81 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.0 t -52.27 -46.82 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -55.07 -56.46 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 98' ' ' PHE . 97.0 mt -41.93 -36.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.33 -48.44 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -54.37 -41.84 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 m -68.74 -45.68 70.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.415 ' NE2' ' HG ' ' A' ' 113' ' ' LEU . 5.2 m-70 -57.9 -37.38 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 108' ' ' HIS . 80.4 mt-30 -37.15 -36.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -104.39 -48.36 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' HIS . 80.8 m-20 -84.16 140.08 39.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.465 ' HA ' ' CG ' ' A' ' 127' ' ' ARG . 53.9 Cg_endo -69.84 139.18 39.32 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.643 2.228 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.415 ' HG ' ' NE2' ' A' ' 108' ' ' HIS . 2.5 tt -83.77 93.27 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.421 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.9 p -59.27 119.06 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.867 0.365 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.421 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 59.9 p -98.85 136.87 38.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.3 t -146.17 129.06 16.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 112' ' ' PRO . 80.5 mtt180 -74.83 151.24 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 51.4 mt -79.53 109.59 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -108.15 -44.71 4.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.481 ' CE2' ' HD2' ' A' ' 44' ' ' LYS . 11.6 m-85 -103.85 152.13 22.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -132.06 92.52 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 67.2 t -88.48 135.21 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -120.52 98.56 6.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.4 ' CG2' ' HB3' ' A' ' 34' ' ' SER . 14.9 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.801 0.334 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.17 -46.95 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -59.52 -46.51 88.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 27.6 tt0 -44.05 -40.13 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.37 -44.28 54.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -84.76 22.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.406 ' CD1' ' HA ' ' A' ' 17' ' ' GLU . 23.2 mt -128.23 -30.2 2.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.64 130.69 47.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.73 -38.68 3.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 59.8 mmtt -44.32 138.22 3.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.508 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 20.3 p-90 -109.43 -23.45 11.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 30.0 t80 -66.43 96.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.94 -21.13 66.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.51 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 88.48 -138.75 15.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.15 39.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -81.94 165.71 20.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.31 171.97 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -74.23 -31.42 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -64.12 -62.74 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.405 ' HB3' ' CG2' ' A' ' 134' ' ' VAL . 33.0 m -48.52 -41.76 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.57 -51.05 68.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.42 -39.41 93.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -57.76 -60.8 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.51 -25.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' CD1' HG12 ' A' ' 65' ' ' VAL . 14.9 mt -84.04 -54.23 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -58.04 -31.13 66.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 42' ' ' SER . 10.6 ptm180 -72.82 -35.22 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 13.1 t -63.25 -46.37 87.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 62.68 45.78 5.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.515 ' HE3' ' CE2' ' A' ' 130' ' ' TYR . 21.1 mtpp -133.9 83.76 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -37.8 116.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.43 -24.01 4.75 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.404 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 27.5 m -54.84 153.89 5.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CE2' ' CB ' ' A' ' 25' ' ' TRP . 30.7 p90 -155.56 153.12 29.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 pp -154.66 137.15 15.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.406 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 3.8 mm -96.63 118.35 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -105.18 126.63 52.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 26.2 tttp -78.88 136.0 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.876 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.564 0.697 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -37.7 8.86 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.724 2.282 . . . . 0.0 112.335 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.439 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 19.9 m-85 -144.47 166.11 26.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.9 m -142.6 126.53 17.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.3 tp -88.41 138.25 31.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.447 HG12 ' CD1' ' A' ' 39' ' ' LEU . 57.4 t -124.48 98.02 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.23 117.4 25.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -83.31 118.84 23.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -105.96 -178.74 3.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -46.96 92.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' PHE . 7.4 mmmm 58.6 33.36 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -142.34 164.3 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.423 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 46.6 t -140.85 121.56 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -114.68 114.01 25.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 0.2 OUTLIER -101.34 97.1 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.8 mt -93.26 130.56 35.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 134.99 29.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.366 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -110.13 75.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -62.49 159.7 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -118.64 124.07 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.1 mp -102.17 99.39 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 82' ' ' ALA . 26.5 tt0 -61.23 -40.02 92.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.47 -37.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.1 p -134.34 6.23 3.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm 57.66 43.47 22.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -116.86 177.24 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.534 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 7.8 m-85 -134.81 135.82 42.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -125.6 157.13 37.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -96.72 135.05 39.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.897 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 87' ' ' ALA . 5.2 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.559 ' CD1' HG12 ' A' ' 104' ' ' ILE . 4.8 m-85 -131.32 162.2 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.37 -42.92 93.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.534 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.7 m -145.48 -177.53 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.864 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 86' ' ' TYR . 93.7 t -67.21 -52.82 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.7 t -47.72 -37.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -62.51 -43.88 97.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.559 HG12 ' CD1' ' A' ' 98' ' ' PHE . 62.0 mt -49.74 -42.47 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.34 -46.88 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -59.07 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -47.35 -27.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 110' ' ' HIS . 2.9 m-70 -80.52 -42.31 22.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' HIS . 87.8 mt-30 -34.38 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' HIS . 11.9 m170 -98.17 -48.84 4.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 108' ' ' HIS . 13.4 m-80 -97.85 137.02 20.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 142.5 48.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.309 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.5 tp -89.7 89.84 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.402 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 77.7 t -38.72 136.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 35.0 p -101.09 162.99 12.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.8 t -159.91 141.45 12.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -89.1 131.77 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.96 114.51 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -115.97 -42.45 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.515 ' CE2' ' HE3' ' A' ' 44' ' ' LYS . 12.1 m-85 -105.1 155.87 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -134.58 97.16 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 55.1 t -87.3 130.73 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -113.99 104.61 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.405 ' CG2' ' HB3' ' A' ' 34' ' ' SER . 9.8 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -46.44 88.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -54.77 -40.36 69.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -52.9 -36.26 59.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.04 80.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -89.05 20.47 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.6 mt -129.58 -31.02 2.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -60.67 124.09 19.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.85 -35.63 4.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -49.83 140.41 15.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -11.78 31.59 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.497 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 21.8 p-90 -105.17 -30.5 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 18.5 t80 -62.43 98.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.48 -11.8 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.506 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 71.56 -117.2 6.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.34 44.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.5 m -78.26 166.17 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.19 134.24 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.439 ' NH1' ' OE2' ' A' ' 36' ' ' GLU . 39.0 ttp85 -47.53 -38.02 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -58.45 -48.9 79.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.1 m -63.26 -35.4 80.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.85 89.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 32' ' ' ARG . 76.8 mt-10 -67.62 -30.85 70.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.92 -49.78 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.457 ' HA ' ' NE ' ' A' ' 41' ' ' ARG . . . -65.0 -27.25 68.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.8 mt -81.28 -49.01 11.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 30.9 m-70 -62.79 -31.98 73.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.457 ' NE ' ' HA ' ' A' ' 38' ' ' ALA . 6.3 ptp180 -74.44 -29.95 61.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 t -58.33 -40.93 83.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 t30 53.16 34.05 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -128.05 83.23 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -38.09 118.77 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.96 -24.76 5.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 m -56.87 155.96 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.822 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 128' ' ' LEU . 24.5 p90 -157.49 162.85 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.428 HD21 ' CG2' ' A' ' 134' ' ' VAL . 2.4 pp -160.14 140.21 11.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.5 mm -101.39 112.58 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -101.14 124.55 47.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 22.7 ttpt -68.65 141.94 55.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.901 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.544 0.688 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.449 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.75 -38.16 8.2 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 61' ' ' PRO . 14.1 m-85 -142.55 166.55 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.9 m -142.59 123.6 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.163 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.459 ' CD2' HD11 ' A' ' 113' ' ' LEU . 11.3 tp -87.2 129.82 34.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.33 102.02 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.0 119.27 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.424 ' CE1' ' HA ' ' A' ' 40' ' ' HIS . 66.7 t80 -82.8 118.0 23.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -104.47 177.9 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.45 92.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' PHE . 23.1 mmmt 62.12 38.11 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -151.19 167.42 27.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.2 t -143.81 120.6 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -113.61 111.55 22.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -99.84 97.05 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.8 mt -89.83 127.49 53.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.508 ' CG ' ' NH1' ' A' ' 78' ' ' ARG . 53.5 Cg_endo -69.82 122.27 8.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.95 76.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH1' ' CG ' ' A' ' 76' ' ' PRO . 1.3 mpt_? -58.41 174.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -138.99 120.21 14.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.45 115.68 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -74.4 -39.07 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -37.47 -40.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.3 p -127.45 -8.05 5.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.26 37.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -109.98 -176.18 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -127.76 156.6 42.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -149.27 154.59 39.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.21 140.08 29.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.528 ' CD1' HG12 ' A' ' 104' ' ' ILE . 48.7 m-85 -141.55 114.14 8.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -39.48 -39.58 1.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 m -148.7 168.75 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.7 -45.63 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.89 -35.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.72 -43.12 94.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.528 HG12 ' CD1' ' A' ' 98' ' ' PHE . 75.0 mt -52.55 -47.39 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.475 HG13 ' CE2' ' A' ' 48' ' ' PHE . 90.7 t -71.56 -46.52 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -54.04 -65.21 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.517 ' O ' ' CD2' ' A' ' 110' ' ' HIS . 1.9 m -47.41 -33.74 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 104' ' ' ILE . 4.9 m-70 -70.91 -33.85 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -40.22 -33.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 107' ' ' SER . 25.2 p80 -105.65 -46.84 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 107' ' ' SER . 2.1 p30 -87.9 141.04 31.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.747 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.95 49.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.459 HD11 ' CD2' ' A' ' 64' ' ' LEU . 2.6 tt -89.63 87.43 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.47 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.2 p -49.1 126.22 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 29.0 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.761 0.315 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.3 p -105.11 135.81 45.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.8 t -144.17 135.26 25.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -78.99 164.81 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 47.7 mt -91.79 107.5 19.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -106.67 -44.83 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 1.9 m-85 -105.82 150.63 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -127.56 97.47 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.86 121.15 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -105.99 102.72 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.428 ' CG2' HD21 ' A' ' 49' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -41.88 91.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -57.92 -34.79 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -57.33 -37.71 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.39 -41.11 62.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -88.39 18.53 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.5 mt -126.48 -32.23 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.39 124.86 22.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.35 -32.32 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 59.1 mmtt -51.49 136.89 32.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.76 36.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.457 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 17.0 p-90 -94.02 -30.61 14.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.504 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 24.6 t80 -58.6 96.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.58 -14.32 62.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.504 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.5 -138.12 21.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.29 51.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.3 t -85.5 171.36 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.39 135.42 39.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 27.2 ttt180 -44.32 -40.11 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -57.64 -54.61 44.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -52.97 -39.63 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.98 -36.92 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -80.95 -39.78 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.47 -55.18 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.41 -24.59 31.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.457 ' CD1' HG13 ' A' ' 65' ' ' VAL . 27.3 mt -83.82 -51.03 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -58.38 -30.68 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 42' ' ' SER . 18.9 ptt180 -73.35 -30.86 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 7.9 t -59.19 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 t30 63.87 35.61 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' ASP . 22.1 mtpp -128.76 82.3 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' LYS . 1.1 p-10 -37.15 117.99 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.36 -16.47 6.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -62.08 156.51 21.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.553 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 20.7 p90 -157.0 156.51 33.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 4.0 pp -162.35 130.92 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.1 mm -89.9 118.16 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 21.1 ptt180 -109.53 126.89 54.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -63.83 141.48 58.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.844 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.588 0.708 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.468 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.78 -40.15 5.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 19.1 m-85 -145.19 178.39 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.1 m -151.14 126.09 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 tp -82.82 136.9 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 39' ' ' LEU . 21.8 t -122.91 100.21 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.19 115.27 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -83.32 118.69 23.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -104.29 177.48 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -47.02 91.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' PHE . 33.9 mmtm 60.54 38.07 19.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -149.4 157.0 42.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.2 t -130.98 123.76 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -114.56 117.67 31.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -97.81 102.25 13.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.6 mt -97.29 122.05 56.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 127.03 14.02 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.358 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.91 80.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -63.03 159.06 17.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 40.8 t80 -128.7 126.04 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.8 96.7 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' ALA . 3.6 tp10 -55.19 -40.83 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -37.38 -44.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 p -123.32 8.39 9.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 25.7 mmtm 53.61 38.52 28.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -107.4 -179.08 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 57.8 m-85 -127.52 156.9 41.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.418 ' C ' HD21 ' A' ' 88' ' ' LEU . . . -152.21 166.43 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.605 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -108.88 166.95 10.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.428 179.875 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.458 ' O ' ' CG ' ' A' ' 98' ' ' PHE . 71.3 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.921 0.391 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.525 ' CD2' HG12 ' A' ' 104' ' ' ILE . 91.4 m-85 -159.07 115.83 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -37.2 -40.13 0.54 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.8 m -147.95 177.92 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.399 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.69 -42.04 82.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.53 -43.05 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -56.9 -37.64 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.525 HG12 ' CD2' ' A' ' 98' ' ' PHE . 72.8 mt -58.77 -45.0 91.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 128' ' ' LEU . 96.4 t -72.7 -50.79 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -57.8 -56.78 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -54.98 -23.22 18.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 111' ' ' ASN . 2.0 m-70 -89.31 -35.23 16.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -37.61 -39.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -101.78 -50.87 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' HIS . 76.4 m-20 -77.85 138.39 61.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 143.64 51.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 tp -106.25 89.71 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.3 t -49.04 115.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.2 p -163.41 147.4 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.1 t -147.89 144.76 28.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -93.2 134.7 35.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.553 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 22.7 mt -56.93 113.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -112.55 -40.42 4.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 18.2 m-85 -111.78 159.42 18.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.75 96.41 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.11 133.07 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -113.34 103.58 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 134' ' ' VAL . 1.8 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.22 -40.54 77.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -60.22 -33.26 72.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -59.42 -37.3 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.12 -44.12 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -87.0 22.54 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.4 mt -129.3 -31.52 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.41 129.06 38.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.45 -33.82 5.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 69.6 mmtt -51.38 139.2 27.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -21.81 32.87 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.73 2.286 . . . . 0.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.547 ' CZ3' HG13 ' A' ' 50' ' ' ILE . 26.7 p-90 -91.31 -15.22 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 37.7 t80 -74.26 97.56 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.87 -14.5 63.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.507 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.94 -158.17 46.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.14 42.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.727 0.298 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.6 p -73.87 -177.47 2.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' SER . 3.2 m-20 -106.02 139.92 39.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 32' ' ' ARG . 20.1 ttp-105 -37.22 -43.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -59.71 -45.07 93.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' ASP . 4.6 m -63.12 -44.03 96.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.457 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . . . -61.78 -47.85 83.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -65.94 -49.78 66.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -51.8 -58.95 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.47 -28.88 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD1' HG13 ' A' ' 65' ' ' VAL . 36.7 mt -81.1 -57.8 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.436 ' CE1' HG23 ' A' ' 72' ' ' VAL . 26.9 m-70 -52.62 -31.72 38.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -78.0 -27.59 49.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -67.89 -46.55 71.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 61.5 43.3 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 30.3 mttt -129.27 84.05 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.07 123.51 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.29 -21.32 10.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 m -56.75 160.21 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 26.6 p90 -160.22 160.64 32.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 35' ' ' ALA . 2.4 pp -162.92 129.68 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.547 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 9.5 mm -86.84 118.36 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -104.27 131.91 51.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -83.23 135.43 34.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.601 0.715 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.88 9.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -145.49 167.1 23.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.42 HG22 ' C ' ' A' ' 75' ' ' ILE . 69.7 m -142.74 121.75 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.192 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.6 tp -80.5 136.42 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 39' ' ' LEU . 17.2 t -124.3 100.11 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.6 120.25 29.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -90.1 116.77 28.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.05 -173.89 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -49.31 86.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' PHE . 26.3 mmmt 64.83 24.97 12.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -127.21 164.41 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.436 HG23 ' CE1' ' A' ' 40' ' ' HIS . 82.7 t -139.79 122.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -118.93 113.24 20.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -97.93 100.68 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.42 ' C ' HG22 ' A' ' 63' ' ' THR . 27.1 mt -100.24 124.18 44.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.04 20.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.79 77.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -54.79 171.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -136.37 111.98 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.47 103.6 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 82' ' ' ALA . 25.6 tt0 -64.63 -35.9 82.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.79 -37.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 p -134.11 2.68 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 62.63 40.5 10.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -111.05 -175.93 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.551 ' CE2' HG23 ' A' ' 101' ' ' VAL . 57.1 m-85 -134.76 144.62 47.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -132.63 167.68 19.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 88' ' ' LEU . 4.3 mm? -104.61 135.32 46.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.923 0.392 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.512 ' CD2' HG12 ' A' ' 104' ' ' ILE . 90.1 m-85 -133.48 145.97 50.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.46 -37.18 92.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -154.19 173.8 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.551 HG23 ' CE2' ' A' ' 86' ' ' TYR . 90.2 t -64.03 -46.73 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.4 t -50.89 -40.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -59.29 -43.81 92.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.512 HG12 ' CD2' ' A' ' 98' ' ' PHE . 75.0 mt -51.89 -32.8 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.408 HG12 ' CE2' ' A' ' 48' ' ' PHE . 85.5 t -84.07 -41.68 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -64.74 -58.8 5.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -54.55 -26.9 34.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.435 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -79.5 -40.12 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 108' ' ' HIS . 26.8 mt-30 -36.68 -42.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -99.77 -41.6 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -89.65 131.06 41.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 142.45 48.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.392 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 114' ' ' VAL . 46.1 tp -101.8 84.17 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.46 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 89.5 t -33.61 128.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 14.9 p -108.4 145.97 33.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -147.16 138.59 24.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -89.86 131.33 35.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 26.7 mt -54.28 121.47 8.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -124.67 -35.34 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.57 ' CD2' ' HD3' ' A' ' 44' ' ' LYS . 2.1 m-85 -111.97 148.14 34.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.64 98.58 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 99.6 t -88.5 132.3 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -119.31 103.76 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 34' ' ' SER . 13.8 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.09 -43.47 73.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -62.39 -43.12 99.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -49.15 -42.65 40.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.15 -42.58 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -93.48 26.7 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.2 mt -130.4 -32.16 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.86 127.08 29.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.91 -36.2 4.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.474 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -43.07 138.32 2.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -4.26 13.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -113.74 -24.75 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 32.9 t80 -66.7 98.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.15 -21.09 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.085 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.51 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 83.48 -124.91 6.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.27 39.55 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.4 162.32 27.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.43 165.34 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -61.36 -36.55 80.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.3 tttt -63.39 -61.91 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m -43.13 -40.4 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 49' ' ' LEU . . . -65.44 -41.34 93.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.25 -28.02 61.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.06 -58.81 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.67 -23.49 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.8 mt -86.79 -51.22 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.414 ' NE2' HG22 ' A' ' 72' ' ' VAL . 26.0 m-70 -61.27 -30.22 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.9 ptt85 -72.28 -36.46 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 t -57.34 -45.52 84.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 61.42 40.81 13.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.573 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 34.3 mtpt -132.33 82.22 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -36.65 121.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.03 -26.22 5.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 m -51.62 159.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 128' ' ' LEU . 24.4 p90 -161.16 151.41 17.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.441 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 3.9 pp -156.76 134.23 10.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 mm -91.76 126.56 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -115.22 127.61 55.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -67.81 140.49 56.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.575 0.703 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -38.73 7.46 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.33 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -131.19 168.16 17.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.6 m -142.75 128.65 19.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.45 ' CD2' ' CD2' ' A' ' 113' ' ' LEU . 8.4 tp -87.0 125.77 34.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.9 t -114.98 103.83 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.25 120.87 33.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -83.44 122.02 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -109.85 178.76 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -45.43 92.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' PHE . 34.1 mmtm 58.19 36.89 26.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 70' ' ' LYS . 20.9 mmt85 -145.5 169.7 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.414 HG22 ' NE2' ' A' ' 40' ' ' HIS . 90.7 t -147.06 122.26 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -116.83 112.54 21.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.08 99.92 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.4 mt -94.12 127.6 44.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 120.85 7.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.362 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.6 t -83.6 79.81 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 -59.44 155.88 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -129.8 123.64 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mp -101.77 118.81 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 82' ' ' ALA . 49.3 tt0 -71.37 -37.39 71.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.94 -40.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 38.5 p -132.07 6.4 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.32 39.21 28.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 97' ' ' TYR . 30.8 mt-30 -110.85 176.37 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.535 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 51.0 m-85 -119.58 152.26 37.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.18 169.18 18.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.31 133.29 55.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.444 ' C ' ' OE1' ' A' ' 85' ' ' GLN . 94.0 m-85 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.913 0.387 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -110.82 157.51 19.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.62 -39.45 67.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.451 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.535 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.5 m -155.88 177.15 11.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.485 HG22 ' CE2' ' A' ' 86' ' ' TYR . 86.2 t -60.96 -48.89 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -49.21 -51.01 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -50.64 -44.8 57.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.551 ' O ' ' CG ' ' A' ' 108' ' ' HIS . 87.4 mt -51.14 -43.38 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.0 t -76.57 -55.12 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.419 ' HA ' ' CD ' ' A' ' 109' ' ' GLN . 34.6 m-20 -47.76 -51.49 22.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -64.7 -50.65 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -51.16 -44.66 61.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 108' ' ' HIS . 58.8 mt-30 -33.86 -40.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -99.97 -45.74 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -86.29 132.68 42.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.44 47.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.45 ' CD2' ' CD2' ' A' ' 64' ' ' LEU . 21.2 tp -113.92 92.87 4.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 115' ' ' LEU . 7.6 p -36.58 139.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.464 ' N ' HG22 ' A' ' 114' ' ' VAL . 47.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.5 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.859 0.362 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 85.6 p -80.17 159.04 26.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.8 t -171.04 140.22 1.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -89.83 140.13 29.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 30.2 mt -59.74 114.51 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -112.27 -44.03 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.573 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.9 m-85 -109.25 154.1 22.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -128.26 94.86 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.6 102.56 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -94.16 111.25 22.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.432 ' CG2' HD21 ' A' ' 49' ' ' LEU . 1.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.791 0.329 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.0 -47.64 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -56.42 -37.5 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -55.12 -40.14 70.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.35 -32.68 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -98.12 24.9 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.6 mt -129.0 -30.59 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.0 mt -65.64 128.18 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.54 -33.35 6.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -45.16 138.65 4.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.25 15.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 25.9 p-90 -113.05 -25.2 9.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 23.5 t80 -66.32 95.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.51 -16.3 63.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.481 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.35 -149.26 35.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.76 46.8 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.312 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.5 t -83.4 163.39 20.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.02 141.22 58.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -50.42 -54.41 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -45.11 -57.13 4.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -50.61 -49.83 55.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.37 -46.55 56.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -69.34 -39.54 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -61.96 -59.58 4.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.19 -25.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 47' ' ' SER . 19.1 mt -88.31 -46.56 9.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -61.61 -29.01 69.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -71.83 -41.22 68.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -53.67 -52.41 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 68.75 42.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 37.9 mtpt -131.33 85.73 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.62 113.64 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.69 -24.7 3.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.464 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 4.4 m -51.66 154.3 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 20.7 p90 -153.6 156.93 38.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.427 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 3.3 pp -166.43 126.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.0 mm -86.94 124.97 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -114.15 121.59 44.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 53' ' ' SER . 15.6 tttm -43.56 152.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' LYS . 7.9 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.571 0.701 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -35.86 11.94 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -133.44 172.91 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.1 m -145.58 145.72 31.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.5 tp -100.25 145.54 27.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.574 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 59.4 t -131.21 97.88 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.28 122.3 36.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -93.16 115.99 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.49 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -103.6 -171.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -47.35 95.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm 52.52 49.57 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.49 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 9.6 ptp180 -169.28 168.79 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.574 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 64.0 t -144.28 143.62 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -120.05 125.47 48.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -102.25 101.19 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.7 mt -104.1 122.94 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.698 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.695 2.264 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.5 t -83.88 80.26 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -58.78 170.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 7.6 t80 -145.71 118.78 8.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.8 mp -90.18 128.76 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' ALA . 30.6 tt0 -78.12 -48.32 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -35.53 -37.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.4 p -125.09 -2.64 7.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 8.2 mmmm 55.63 41.89 30.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -114.19 169.38 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.455 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 59.0 m-85 -108.16 153.73 22.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.09 167.24 22.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.42 135.18 50.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.909 0.385 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.432 ' CD1' HG12 ' A' ' 104' ' ' ILE . 7.1 m-85 -120.2 163.86 17.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.05 -38.92 21.44 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.455 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.5 m -148.35 175.98 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.7 t -65.82 -45.37 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.067 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.5 t -51.55 -44.75 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -57.49 -43.81 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.547 ' O ' ' CG ' ' A' ' 108' ' ' HIS . 93.9 mt -54.38 -38.83 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.502 HG13 ' CE2' ' A' ' 48' ' ' PHE . 90.7 t -78.34 -54.63 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -49.99 -48.71 52.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -66.8 -42.9 85.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -60.3 -39.54 87.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -37.92 -42.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.495 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 10.5 m-70 -97.59 -51.76 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 108' ' ' HIS . 37.4 m-80 -80.69 134.49 53.86 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.64 0.733 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 144.04 52.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 43.8 tp -111.01 84.82 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.466 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 9.7 p -43.73 131.05 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 1.3 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.77 0.319 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 28.4 p -109.78 143.1 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.2 t -151.48 154.4 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 110' ' ' HIS . 10.9 mtm-85 -103.01 116.45 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 48.2 mt -41.69 111.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -112.59 -40.37 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.6 m-85 -110.05 145.34 37.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -122.51 95.08 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 93.0 t -98.33 116.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -104.54 131.34 52.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.888 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.332 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.32 -50.71 71.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -57.13 -38.08 72.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -51.41 -41.76 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.74 -35.71 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.43 25.8 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.507 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 39.3 mt -129.52 -31.68 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.5 mt -64.06 129.7 41.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.42 -34.56 5.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.521 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HB2' ' CB ' ' A' ' 26' ' ' TYR . 36.4 mmtt -48.79 140.9 10.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -19.35 36.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.544 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 29.0 p-90 -99.82 -24.85 14.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 28.3 t80 -70.07 94.64 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.22 -20.28 64.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.459 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 76.37 -149.27 36.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.51 47.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.4 m -90.38 159.42 16.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.02 158.28 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 21.0 ttm105 -66.1 -42.53 89.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -48.47 -58.35 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 m -57.07 -32.02 65.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -45.13 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -73.88 -39.04 64.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.29 -55.37 14.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.49 -25.24 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.1 mt -85.52 -48.87 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -61.49 -30.33 70.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.3 ptm180 -71.78 -33.81 68.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 14.4 t -60.78 -46.92 88.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 t30 64.81 37.52 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.559 ' HE3' ' CE2' ' A' ' 130' ' ' TYR . 12.1 mmmt -123.76 83.74 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.59 115.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.14 -19.76 6.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 m -53.37 152.65 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 26.9 p90 -149.21 151.29 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.458 ' C ' ' CD1' ' A' ' 49' ' ' LEU . 1.5 pp -158.7 130.47 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.402 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 6.4 mm -87.92 135.43 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 1.2 ptm85 -128.98 122.78 30.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -64.05 139.56 58.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.631 0.729 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -42.96 2.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.482 ' CD2' HG21 ' A' ' 101' ' ' VAL . 44.7 m-85 -140.61 168.49 19.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.4 m -143.33 122.76 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 113' ' ' LEU . 25.5 tp -81.89 141.49 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 24.5 t -125.14 97.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.56 119.33 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -88.91 116.52 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.21 -176.03 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.468 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 34.8 p-10 -48.15 87.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 68' ' ' PHE . 30.5 mmtp 64.24 32.58 12.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -142.59 163.94 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 59.0 t -137.67 122.65 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.16 118.18 35.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -96.71 104.48 16.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.428 ' CD1' HD22 ' A' ' 113' ' ' LEU . 42.3 mt -103.97 120.88 49.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 118.67 5.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.9 t -89.03 83.71 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 mtt85 -65.75 163.92 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 31.9 t80 -131.03 130.63 43.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.9 126.24 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' ALA . 34.8 tt0 -73.91 -41.6 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.37 -53.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 p -117.71 8.54 12.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 26.7 mmtm 50.75 42.32 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -111.82 -178.15 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.503 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 33.6 m-85 -122.97 151.83 41.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.429 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -143.57 172.26 13.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -109.48 163.01 13.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.891 0.376 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.551 ' CD2' HG12 ' A' ' 104' ' ' ILE . 78.4 m-85 -142.84 120.08 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.58 -44.29 0.43 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.503 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.6 m -154.49 179.94 8.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 62' ' ' TYR . 89.9 t -61.57 -52.18 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.181 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.452 HG13 ' ND2' ' A' ' 106' ' ' ASN . 84.4 t -49.04 -40.24 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -59.97 -43.52 95.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.551 HG12 ' CD2' ' A' ' 98' ' ' PHE . 68.4 mt -51.77 -33.97 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.3 t -86.25 -50.33 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.452 ' ND2' HG13 ' A' ' 102' ' ' VAL . 25.9 m-20 -50.65 -51.96 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.72 -45.2 83.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 1.6 m-70 -54.06 -38.89 65.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' HIS . 55.6 mt-30 -34.32 -36.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 108' ' ' HIS . 21.4 m170 -97.58 -53.6 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -81.81 128.33 69.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 139.17 39.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.351 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.462 ' CD1' HD23 ' A' ' 64' ' ' LEU . 2.1 tt -86.01 89.86 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.99 116.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.2 p -170.31 151.78 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.2 t -164.83 142.41 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 -94.38 138.02 32.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 32.4 mt -60.84 106.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -112.38 -43.82 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.559 ' CE2' ' HE3' ' A' ' 44' ' ' LYS . 1.9 m-85 -103.75 148.02 26.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.88 100.55 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 133' ' ' LYS . 85.6 t -88.05 147.04 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.456 ' N ' HG12 ' A' ' 132' ' ' VAL . 15.2 ttmm -121.45 144.68 48.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.784 0.326 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.5 -47.71 75.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -57.57 -42.65 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -42.96 -42.17 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.37 -41.24 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -84.19 16.6 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.0 mt -127.22 -32.52 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.57 136.48 58.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 -32.62 6.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -51.58 139.1 29.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -11.25 30.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.584 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 33.7 p-90 -106.79 -27.26 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.463 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 30.0 t80 -68.03 98.94 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.4 -16.16 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.463 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 83.68 -115.95 4.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.14 45.07 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.727 0.299 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.0 m -83.3 151.58 25.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -76.11 133.23 40.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -40.39 -40.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -51.67 -61.83 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -55.97 -35.12 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.91 99.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -70.7 -34.02 71.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -68.87 -58.87 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.72 -24.94 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 65' ' ' VAL . 20.1 mt -84.63 -47.32 10.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.462 ' CD2' HG22 ' A' ' 72' ' ' VAL . 19.9 m-70 -60.96 -29.87 69.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 42' ' ' SER . 4.7 ptm180 -74.83 -33.98 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 41.4 t -59.32 -49.73 76.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 65.29 45.21 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 37.4 mttp -133.54 83.05 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.11 114.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 130.7 -20.74 4.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 m -56.34 150.51 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CE2' ' CB ' ' A' ' 25' ' ' TRP . 27.7 p90 -151.49 151.88 32.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.473 HD21 ' CG2' ' A' ' 134' ' ' VAL . 1.9 pp -157.44 127.08 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.403 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 20.7 mm -85.17 126.92 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -118.41 124.67 48.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -61.42 141.06 57.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.576 0.703 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -47.65 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.238 . . . . 0.0 112.371 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -130.05 -179.03 4.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.4 m -149.99 135.02 17.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.7 tp -91.03 147.84 22.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.593 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 43.7 t -133.65 97.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.77 118.11 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -88.03 117.55 26.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.481 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 1.1 t80 -109.85 -177.88 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' PHE . 3.8 t-20 -34.54 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm 42.14 52.31 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 11.1 ptm180 -164.85 170.63 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.593 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 34.8 t -140.86 134.21 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.41 121.97 46.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.41 92.08 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.9 mt -94.59 117.37 66.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 111.126 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 121.02 7.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.5 t -88.53 103.92 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 78' ' ' ARG . 9.9 mtm105 -84.22 158.84 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -126.67 100.57 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -76.12 88.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -46.86 -43.52 18.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.7 -39.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.3 p -118.05 4.78 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 50.8 40.78 25.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.421 ' CD ' ' HB3' ' A' ' 97' ' ' TYR . 23.9 mt-30 -124.13 176.09 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.416 ' CD2' HG22 ' A' ' 101' ' ' VAL . 85.3 m-85 -113.9 155.34 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -135.8 169.62 17.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.83 137.51 52.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.421 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 35.4 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.952 0.406 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.513 ' CD1' HG12 ' A' ' 104' ' ' ILE . 43.9 m-85 -93.42 113.85 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.14 -43.67 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 m -143.77 174.61 10.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.416 HG22 ' CD2' ' A' ' 86' ' ' TYR . 94.5 t -62.11 -48.86 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.0 t -49.54 -44.64 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -54.24 -41.17 68.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.513 HG12 ' CD1' ' A' ' 98' ' ' PHE . 76.3 mt -52.85 -47.89 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.557 HG11 ' CE2' ' A' ' 48' ' ' PHE . 99.5 t -69.32 -45.89 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 109' ' ' GLN . 26.6 m-20 -56.42 -69.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -39.94 -33.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.481 ' CD2' HD13 ' A' ' 113' ' ' LEU . 3.4 m-70 -73.04 -39.03 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 106' ' ' ASN . 96.4 mt-30 -36.07 -35.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -101.11 -57.63 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' HIS . 64.6 m-20 -76.01 141.25 71.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.401 ' HA ' ' CG ' ' A' ' 127' ' ' ARG . 53.9 Cg_endo -69.74 139.73 41.01 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.381 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' ' 108' ' ' HIS . 2.4 tt -88.28 101.42 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.402 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 9.6 p -60.85 134.4 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 89.5 p -104.95 142.92 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.9 t -150.17 134.88 17.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.401 ' CG ' ' HA ' ' A' ' 112' ' ' PRO . 41.5 mtt180 -79.08 143.16 35.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 83.9 mt -70.83 103.87 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -107.05 -44.16 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.448 ' CD2' ' HD3' ' A' ' 44' ' ' LYS . 3.3 m-85 -101.0 150.42 22.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -133.58 105.24 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 90.6 t -94.2 116.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -99.84 97.7 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.473 ' CG2' HD21 ' A' ' 49' ' ' LEU . 1.5 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.82 0.343 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -56.77 15.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -45.98 -47.12 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 56.8 tt0 -47.76 -38.4 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.79 -39.34 62.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.25 28.8 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 17' ' ' GLU . 19.0 mt -129.65 -31.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.64 126.15 26.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.94 -31.98 6.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 34.0 mmtt -54.9 139.09 63.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.04 31.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.468 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 27.9 p-90 -88.57 -23.72 23.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.513 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 36.9 t80 -69.35 96.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.42 -17.61 64.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.513 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 73.28 -142.51 31.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.25 43.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 111.055 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 t -82.35 160.2 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -59.75 136.38 57.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 56.9 ttp85 -53.43 -39.22 64.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -62.44 -42.67 99.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.25 -40.9 91.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.72 -50.74 59.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -67.1 -39.54 86.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -60.6 -61.79 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -44.03 -26.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.1 mt -87.23 -51.37 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.526 ' CD2' HG23 ' A' ' 72' ' ' VAL . 17.2 m-70 -54.37 -29.11 47.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -77.33 -33.97 55.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -60.93 -49.76 76.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 64.29 45.1 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HD2' ' CE1' ' A' ' 130' ' ' TYR . 21.2 mtmm -134.65 85.04 2.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.36 125.52 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.21 -23.33 8.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 m -55.41 158.83 3.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.831 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 34.5 p90 -159.48 156.97 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.8 pp -161.6 134.63 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.424 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 16.0 mm -92.04 124.87 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 19.5 ptt180 -116.38 133.83 55.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -70.89 141.16 51.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.866 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -38.14 8.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -144.1 175.34 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.7 m -145.39 129.51 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.6 tp -81.92 146.39 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.602 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 64.2 t -132.46 96.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.89 121.72 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -91.76 116.23 28.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 124' ' ' ASP . 0.6 OUTLIER -103.58 -173.74 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -44.59 99.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm 47.78 51.52 14.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 16.1 ptt180 -169.75 162.78 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.602 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 21.4 t -136.33 135.81 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -116.01 122.45 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.79 97.68 9.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.9 mt -96.66 131.08 28.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.657 0.741 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 133.16 24.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.4 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.7 t -104.97 79.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.07 140.76 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.44 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 16.6 t80 -99.55 112.87 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 97' ' ' TYR . 9.1 mm -73.94 80.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -55.47 -40.19 71.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.23 -48.24 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.5 p -119.36 14.68 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER 53.3 41.64 32.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.429 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 75.2 mt-30 -113.2 -174.83 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.567 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 13.7 m-85 -140.91 136.79 32.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.409 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . . . -137.24 165.27 26.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.613 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -107.1 162.43 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CE2' HG13 ' A' ' 80' ' ' ILE . 3.7 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.905 0.384 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CD1' HG12 ' A' ' 104' ' ' ILE . 12.3 m-85 -131.38 171.96 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.72 -29.53 35.11 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 2.2 m -156.82 172.22 19.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.454 ' HA ' ' CD1' ' A' ' 104' ' ' ILE . 94.4 t -57.96 -53.28 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.9 t -48.71 -43.77 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.99 -42.51 76.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.523 HG12 ' CD1' ' A' ' 98' ' ' PHE . 44.8 mt -49.92 -45.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 48' ' ' PHE . 98.5 t -72.6 -45.29 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 109' ' ' GLN . 24.4 m-20 -63.8 -67.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -41.98 -28.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-70 -81.18 -36.26 30.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 106' ' ' ASN . 95.7 mt-30 -34.88 -36.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 108' ' ' HIS . 12.1 m-70 -100.69 -53.14 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 108' ' ' HIS . 30.2 m-20 -79.82 138.44 53.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.466 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 53.4 Cg_endo -69.76 140.28 42.29 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.401 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.418 ' C ' HD22 ' A' ' 113' ' ' LEU . 2.4 tt -85.38 98.0 10.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.6 p -56.75 130.35 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.6 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.3 p -84.51 134.44 34.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 t -146.58 128.53 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.149 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 23.3 mtt180 -75.94 143.94 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 41.8 mt -71.71 120.93 17.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -122.82 -42.83 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.414 ' CE1' ' HD2' ' A' ' 44' ' ' LYS . 27.7 m-85 -101.74 149.4 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.3 98.02 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 86.7 t -83.36 139.44 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.93 99.65 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.893 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.6 -47.98 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -60.32 -34.42 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -56.5 -42.63 78.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.19 -40.8 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -81.65 12.81 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.8 mt -125.39 -27.73 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.99 124.84 21.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.72 -36.14 4.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -41.95 136.41 2.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -7.13 20.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 15.3 p-90 -110.14 -29.99 7.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 28.5 t80 -59.44 94.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -21.21 66.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.518 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 78.2 -152.0 37.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.18 44.5 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.9 p -70.07 179.77 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 32' ' ' ARG . 4.8 m-20 -101.01 131.63 46.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ASP . 61.1 ttp85 -34.9 -42.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -61.55 -62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.1 m -45.71 -47.64 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.96 -41.93 59.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.155 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -72.21 -40.75 67.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.83 -61.64 2.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.42 -23.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 67' ' ' PHE . 17.2 mt -87.69 -45.9 9.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.449 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 27.6 m-70 -64.41 -31.17 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -71.61 -34.65 70.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 t -64.34 -50.82 66.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 t30 64.6 49.05 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.568 ' HD2' ' CD2' ' A' ' 130' ' ' TYR . 20.9 mttt -134.07 93.21 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.46 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 4.6 t0 -51.5 99.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.62 -13.73 2.0 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.3 m -67.69 157.64 34.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.814 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 128' ' ' LEU . 35.3 p90 -153.25 148.19 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 49' ' ' LEU . 3.5 pp -152.59 133.25 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 62' ' ' TYR . 23.1 mm -93.02 128.31 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' NH1' ' HG3' ' A' ' 32' ' ' ARG . 19.5 ptt180 -114.65 116.8 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.15 135.07 51.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.873 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.576 0.703 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -38.77 7.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.459 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 24.4 m-85 -148.86 174.81 11.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.8 m -145.35 117.31 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 tp -81.79 133.3 35.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.3 101.2 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.56 112.96 24.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.463 ' HB2' ' CD2' ' A' ' 39' ' ' LEU . 82.6 t80 -80.18 132.27 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.1 t80 -120.0 168.93 10.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.46 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 25.7 t30 -38.11 92.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' PHE . 19.6 mmtp 59.74 46.33 11.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.436 ' O ' ' CD1' ' A' ' 67' ' ' PHE . 49.9 mtp85 -156.85 161.14 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 40' ' ' HIS . 60.6 t -138.1 120.47 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -114.79 105.27 12.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -93.82 95.95 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.447 HD11 ' CD2' ' A' ' 115' ' ' LEU . 13.3 mt -87.75 124.32 67.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 121.11 7.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -89.44 75.36 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -58.46 145.89 37.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -113.13 111.77 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' LYS . 3.7 mp -86.67 118.94 33.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 83' ' ' THR . 10.8 tm-20 -72.65 -53.39 11.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -32.35 -35.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 81' ' ' GLU . 18.5 p -127.43 0.3 6.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' ILE . 21.8 mmmt 51.15 37.81 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -111.07 179.18 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 51.7 m-85 -122.62 132.4 54.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.45 153.56 40.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.17 134.24 34.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.933 0.397 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 104' ' ' ILE . 10.0 m-85 -126.54 116.84 21.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -37.34 -37.58 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.545 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 3.2 m -149.24 170.21 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.953 0.406 . . . . 0.0 110.805 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.32 -56.25 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.8 t -40.76 -47.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.65 -46.12 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.557 ' HA ' ' CD2' ' A' ' 98' ' ' PHE . 66.4 mt -48.74 -41.6 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.53 -41.29 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 109' ' ' GLN . 43.1 m-20 -64.3 -67.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -40.58 -32.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 104' ' ' ILE . 5.2 m-70 -72.38 -39.27 68.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 106' ' ' ASN . 97.3 mt-30 -35.25 -34.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' HIS . 55.2 m-70 -100.33 -58.11 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -80.33 140.49 52.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 138.18 37.35 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.744 2.296 . . . . 0.0 112.321 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 tt -78.16 91.19 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.461 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.6 p -57.49 119.72 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' A' ' 75' ' ' ILE . 22.7 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 55.3 p -96.06 133.01 40.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.2 t -140.05 133.1 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 -78.64 144.29 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 93.0 mt -69.58 107.03 3.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -113.97 -39.16 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.568 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 2.2 m-85 -106.36 149.33 27.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -128.64 97.44 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.7 t -100.73 105.03 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -98.5 131.54 44.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.76 0.314 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.76 -39.73 64.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -60.78 -44.85 96.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -42.8 -33.91 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.89 84.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -83.05 13.03 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 mt -121.17 -32.11 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.92 133.62 54.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.04 -32.96 6.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -50.04 139.95 17.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -21.56 33.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -92.18 -28.95 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 20.3 t80 -62.9 91.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.72 -22.68 66.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.07 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.475 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 79.83 -154.5 37.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.54 74.93 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -112.63 169.49 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.2 t0 -69.6 150.82 46.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 54.8 ttt-85 -60.99 -38.76 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -64.93 -51.69 60.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -49.05 -52.54 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.78 -52.26 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.58 -49.55 77.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -54.68 -56.33 20.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.07 -26.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' CD1' HG11 ' A' ' 65' ' ' VAL . 24.8 mt -88.49 -51.84 5.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CD2' HG21 ' A' ' 72' ' ' VAL . 19.5 m-70 -55.7 -28.38 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -74.44 -39.84 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -58.42 -50.66 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 t30 65.65 44.47 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' ASP . 28.4 mtmm -133.85 83.84 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -36.74 126.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.38 -27.82 6.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 m -52.61 152.65 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.548 ' CE2' HG13 ' A' ' 105' ' ' VAL . 35.2 p90 -150.26 158.61 44.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' C ' ' CD1' ' A' ' 49' ' ' LEU . 1.6 pp -160.81 133.99 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.1 mm -95.29 122.1 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -112.85 129.82 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -65.97 142.09 57.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.874 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.56 0.695 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.29 4.32 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -141.7 171.89 13.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.1 m -141.29 119.52 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' A' ' 113' ' ' LEU . 27.7 tp -76.76 141.65 40.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.452 HG11 ' CD1' ' A' ' 39' ' ' LEU . 21.9 t -130.02 98.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.64 124.79 34.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -90.72 114.97 27.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.29 -176.01 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.416 ' O ' ' OD1' ' A' ' 69' ' ' ASN . 16.4 p30 -49.39 87.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 68' ' ' PHE . 23.9 mmmt 62.33 39.46 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.6 mtp85 -149.37 160.21 43.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 40' ' ' HIS . 52.1 t -132.65 121.56 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -113.0 116.52 30.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -98.96 100.56 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 23.7 mt -96.55 126.8 42.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.84 12.62 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 104' ' ' ILE . 97.4 t -94.13 76.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -59.37 146.23 40.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 2.1 t80 -116.12 121.79 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -75.71 144.23 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -102.81 -52.11 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.1 -35.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.2 p -130.47 19.94 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 38.82 48.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.606 ' NE2' ' CG ' ' A' ' 97' ' ' TYR . 24.8 mt-30 -109.29 -174.81 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 72.0 m-85 -127.5 161.95 27.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.61 -175.54 5.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' A' ' 98' ' ' PHE . 2.5 mp -129.79 173.22 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.606 ' CG ' ' NE2' ' A' ' 85' ' ' GLN . 56.4 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.878 0.371 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD1' HG12 ' A' ' 104' ' ' ILE . 12.7 m-85 -131.21 112.23 12.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -38.43 -34.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.541 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 3.1 m -148.62 177.4 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.896 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.406 HG23 ' CE2' ' A' ' 86' ' ' TYR . 88.8 t -67.48 -45.45 85.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.192 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.6 t -50.26 -46.29 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -53.14 -39.7 63.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.568 HG12 ' CD1' ' A' ' 98' ' ' PHE . 83.0 mt -54.13 -41.85 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.548 HG13 ' CE2' ' A' ' 48' ' ' PHE . 85.1 t -80.67 -49.09 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -52.72 -51.75 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.12 -44.14 89.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.4 OUTLIER -57.78 -41.62 82.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' HIS . 22.8 mt-30 -34.43 -45.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -93.49 -58.68 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -72.0 133.24 84.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.14 49.95 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.406 ' CD2' HD21 ' A' ' 64' ' ' LEU . 45.3 tp -107.4 86.22 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.423 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 6.0 p -39.06 141.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 26.6 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.2 p -93.03 134.86 34.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.7 t -144.96 146.16 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -93.19 141.36 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.498 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 61.9 mt -64.97 117.97 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -118.2 -42.04 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.471 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 12.1 m-85 -108.62 155.54 20.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.11 99.02 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.3 t -90.9 139.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -114.8 118.65 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.866 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -55.61 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -44.3 -43.23 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -48.68 -39.7 25.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.12 -42.52 63.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -92.3 20.85 5.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.9 mt -125.5 -30.85 3.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.46 126.93 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.57 -32.9 6.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -48.27 141.99 8.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.59 31.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -94.62 -27.51 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 34.1 t80 -65.35 95.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.34 -17.2 63.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 78.2 -151.45 36.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.22 46.21 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 p -70.03 -178.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' ARG . 1.9 m-20 -101.04 136.57 40.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' ASP . 65.6 ttt180 -36.34 -45.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -64.99 -62.76 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -49.21 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.19 -52.51 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.44 -43.3 96.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.59 -47.57 85.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.89 -28.55 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 65' ' ' VAL . 30.6 mt -82.71 -56.24 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.497 ' CE1' HG21 ' A' ' 72' ' ' VAL . 39.7 m-70 -56.83 -33.32 66.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -70.95 -35.29 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -61.32 -49.14 78.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 66.06 42.39 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -129.55 83.72 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.92 130.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.92 -24.05 20.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 m -52.17 153.92 2.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 34.6 p90 -154.07 156.91 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 3.3 pp -160.09 135.34 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.2 mm -92.1 123.33 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -114.8 123.44 49.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -61.09 140.07 57.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.45 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.77 -44.65 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.376 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.45 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 14.2 m-85 -138.24 177.51 7.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 64' ' ' LEU . 95.3 m -147.39 138.15 23.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.439 ' N ' HG23 ' A' ' 63' ' ' THR . 31.2 tp -94.65 140.23 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 39' ' ' LEU . 60.0 t -127.31 98.86 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.04 115.32 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -83.56 114.95 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -101.29 177.65 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -44.21 90.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' PHE . 12.9 mmmt 59.98 40.28 19.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -146.85 167.24 24.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.497 HG21 ' CE1' ' A' ' 40' ' ' HIS . 40.9 t -145.91 117.79 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -109.36 127.06 54.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -105.27 100.98 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.5 mt -100.66 124.99 40.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.643 0.735 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.19 17.14 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.24 78.58 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -62.71 164.65 7.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -131.97 119.82 21.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -93.21 122.52 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -76.54 -36.35 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -38.71 -38.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.4 p -131.26 5.89 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 55.79 39.17 30.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.462 HE21 ' N ' ' A' ' 99' ' ' GLY . 21.5 mt-30 -114.36 177.74 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 36.1 m-85 -115.95 152.59 33.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -139.29 148.69 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.088 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.45 137.07 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.415 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 89.5 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.909 0.385 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CD2' ' HA ' ' A' ' 104' ' ' ILE . 71.9 m-85 -122.13 122.2 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.462 ' N ' HE21 ' A' ' 85' ' ' GLN . . . -35.56 -40.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.55 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 1.9 m -162.26 177.05 9.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.97 0.414 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.504 HG23 ' CE2' ' A' ' 86' ' ' TYR . 98.0 t -57.1 -43.95 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.24 -40.67 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -46.35 91.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.517 ' HA ' ' CD2' ' A' ' 98' ' ' PHE . 96.4 mt -48.76 -54.15 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.44 -54.87 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -45.9 -63.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -57.51 -36.94 72.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -61.74 -41.16 97.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 108' ' ' HIS . 97.5 mt-30 -35.85 -43.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -99.03 -40.86 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -86.63 128.68 55.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.04 52.88 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' VAL . 28.4 tp -104.8 88.65 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.458 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 88.8 t -33.77 119.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 3.6 p -48.02 146.28 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -152.06 143.15 23.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -90.52 132.12 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 27.7 mt -54.59 121.25 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -120.88 -41.58 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -108.91 152.9 24.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -126.09 94.15 4.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 133' ' ' LYS . 85.1 t -80.92 145.11 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.4 ' N ' HG12 ' A' ' 132' ' ' VAL . 26.0 ttmt -123.81 150.51 44.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.795 0.331 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.12 -47.83 17.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.409 ' C ' HD13 ' A' ' 20' ' ' LEU . 23.2 mm100 -60.42 -39.11 86.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -51.89 -41.36 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.49 66.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -95.39 19.42 10.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 16' ' ' GLN . 26.1 mt -121.48 -32.86 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.43 HD21 ' CE2' ' A' ' 26' ' ' TYR . 84.5 mt -64.89 130.13 42.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.84 -35.77 4.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.477 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 56.1 mmtt -43.07 137.99 2.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.558 0.694 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -5.15 15.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.477 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 24.2 p-90 -111.06 -22.48 11.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.517 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 44.1 t80 -66.38 98.06 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.44 ' CB ' HG11 ' A' ' 134' ' ' VAL . . . -68.31 -20.17 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.517 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 72.62 -167.46 53.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.82 75.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 111.084 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.24 161.62 20.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -75.84 150.33 37.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -52.22 -42.94 63.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -51.41 -60.22 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -47.87 -50.4 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.39 75.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -65.97 -37.66 86.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -65.36 -58.05 6.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -25.43 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 65' ' ' VAL . 50.5 mt -84.85 -54.24 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.419 ' NE2' HG22 ' A' ' 72' ' ' VAL . 25.7 m-70 -56.69 -30.69 63.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.0 ptm180 -71.67 -31.8 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 9.9 t -64.19 -51.52 63.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 t30 67.09 39.91 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 29.3 mtmt -134.9 88.25 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.469 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -42.81 115.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 134.74 -22.12 3.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.9 m -60.56 147.23 42.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 105' ' ' VAL . 34.5 p90 -143.14 159.77 41.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 1.3 pp -167.48 127.28 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.9 mm -90.19 133.03 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -118.59 124.78 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' SER . 20.0 ttmm -63.03 135.7 57.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' LYS . 54.6 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.57 0.7 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 53.8 Cg_endo -69.8 -36.25 11.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 22.0 m-85 -148.82 176.81 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.2 m -148.87 131.03 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.515 ' CD2' ' CD2' ' A' ' 113' ' ' LEU . 10.3 tp -91.73 131.02 37.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 39' ' ' LEU . 32.8 t -118.03 103.1 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.46 115.65 28.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 71' ' ' ARG . 37.1 t80 -83.58 133.21 34.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -121.07 166.81 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.469 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 11.1 t-20 -37.09 93.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' PHE . 4.6 mmmm 58.68 47.47 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.427 ' O ' ' CD1' ' A' ' 67' ' ' PHE . 87.7 mtt-85 -155.47 171.48 19.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.419 HG22 ' NE2' ' A' ' 40' ' ' HIS . 60.2 t -150.06 119.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -113.84 118.98 35.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -100.33 97.89 8.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.436 HD13 ' CD2' ' A' ' 115' ' ' LEU . 22.8 mt -92.03 126.24 53.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.65 23.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.7 t -103.29 79.8 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -69.11 145.63 53.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 50.8 t80 -110.67 126.75 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 97' ' ' TYR . 5.3 mp -95.31 112.81 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' ALA . 26.6 tt0 -67.95 -39.08 83.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -36.3 -47.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' LYS . 22.7 p -132.81 31.68 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 9.3 mmpt? 36.76 44.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -106.68 175.37 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 50.6 m-85 -124.39 143.17 50.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -132.36 164.43 26.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.79 149.07 42.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.565 ' CE2' HG12 ' A' ' 80' ' ' ILE . 2.6 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.901 0.381 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CD1' HG12 ' A' ' 104' ' ' ILE . 14.7 m-85 -123.57 168.36 12.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.79 -37.85 66.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.558 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 2.5 m -155.25 174.91 14.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.483 HG23 ' CD2' ' A' ' 86' ' ' TYR . 91.7 t -59.7 -53.03 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.2 t -45.87 -46.57 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.64 -47.32 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.563 HG12 ' CD1' ' A' ' 98' ' ' PHE . 96.1 mt -46.5 -43.89 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.563 HG13 ' CE2' ' A' ' 48' ' ' PHE . 94.2 t -77.72 -55.87 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -42.46 -54.23 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.26 -49.39 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -50.15 -40.51 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' HIS . 73.4 mt-30 -37.04 -42.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.43 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 72.7 m-70 -101.15 -43.64 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.424 ' C ' ' HG2' ' A' ' 127' ' ' ARG . 3.7 m-20 -81.09 134.32 52.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.15 44.34 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.515 ' CD2' ' CD2' ' A' ' 64' ' ' LEU . 41.4 tp -110.3 87.43 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t -42.41 146.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.436 ' CD2' HD13 ' A' ' 75' ' ' ILE . 3.5 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.808 0.337 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.4 p -112.28 146.32 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -148.27 146.76 28.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.43 ' CD ' ' O ' ' A' ' 110' ' ' HIS . 27.1 mtm180 -94.94 138.95 32.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 28.6 mt -58.56 117.53 4.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -117.27 -38.75 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.566 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 3.8 m-85 -111.11 150.95 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -123.85 98.59 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.054 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 87.2 t -103.25 119.28 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -112.38 136.02 52.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.44 HG11 ' CB ' ' A' ' 27' ' ' ALA . 8.0 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.781 0.325 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -75.25 -64.62 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.457 ' NE2' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.54 -36.79 35.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 19.0 tt0 -50.41 -18.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.1 -25.19 61.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -98.16 10.89 39.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.457 HD11 ' NE2' ' A' ' 16' ' ' GLN . 19.9 mt -115.49 -29.11 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.7 mt -69.26 123.85 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.34 -27.98 11.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.516 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 52.6 mmtt -56.26 137.21 74.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -17.67 37.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.516 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 30.6 p-90 -96.72 -14.07 22.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.519 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 26.4 t80 -77.04 93.95 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.72 -16.85 64.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.519 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 80.52 -124.52 6.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.78 38.81 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.0 m -80.03 157.65 26.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -61.69 151.33 34.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -62.6 -46.42 88.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -50.52 -58.19 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.418 ' C ' HG21 ' A' ' 134' ' ' VAL . 5.0 m -47.24 -46.59 24.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.55 -39.64 49.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -71.07 -39.35 72.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -66.2 -50.46 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.98 -33.47 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.456 ' CD1' ' CG1' ' A' ' 65' ' ' VAL . 33.5 mt -80.62 -37.24 31.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.463 ' CD2' HG21 ' A' ' 72' ' ' VAL . 22.2 m-70 -68.97 -32.42 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 42' ' ' SER . 4.0 ptt-85 -71.41 -30.04 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 23.3 t -61.03 -51.84 67.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t30 66.03 39.64 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HD2' ' CE2' ' A' ' 130' ' ' TYR . 25.1 mtmt -132.0 87.5 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.39 105.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 141.37 -13.79 2.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -62.84 164.41 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 130' ' ' TYR . 30.7 p90 -164.75 154.55 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.5 pp -159.4 130.95 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.449 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 22.0 mm -91.13 113.02 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -104.46 140.14 38.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -80.94 137.02 36.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.923 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.589 0.709 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -43.28 2.74 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.303 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -140.44 172.63 12.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.0 m -141.75 131.38 24.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 113' ' ' LEU . 9.4 tp -92.17 140.7 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.456 ' CG1' ' CD1' ' A' ' 39' ' ' LEU . 45.5 t -126.7 98.72 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.99 116.62 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -82.92 118.38 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CZ ' ' OD2' ' A' ' 124' ' ' ASP . 1.5 t80 -104.64 177.32 4.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.06 91.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 68' ' ' PHE . 4.9 mmmm 60.89 38.17 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -149.74 163.9 36.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.463 HG21 ' CD2' ' A' ' 40' ' ' HIS . 61.4 t -137.37 124.4 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -116.82 111.22 19.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.957 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -96.33 94.34 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.1 mt -90.72 131.68 37.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.164 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 135.18 29.77 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.353 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.3 t -107.6 78.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -66.53 156.33 35.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 61.1 t80 -122.09 115.76 23.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.0 mp -89.47 88.03 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -47.41 -39.96 16.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.83 -34.64 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.8 p -123.18 4.23 9.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.464 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 36.1 mmtm 52.46 36.03 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -120.79 -178.05 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.524 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 4.5 m-85 -130.54 138.58 50.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.36 169.87 9.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.95 138.72 41.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.87 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.456 ' CD1' HG12 ' A' ' 104' ' ' ILE . 89.1 m-85 -153.97 127.13 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -35.93 -52.74 1.19 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.524 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 m -151.83 -177.28 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 0.0 110.848 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 56.9 t -56.39 -58.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.7 t -46.69 -42.95 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.93 -41.96 79.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 98' ' ' PHE . 81.5 mt -57.52 -34.55 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.4 t -82.43 -53.17 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -54.38 -31.17 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -74.52 -36.44 63.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.481 ' CD2' HD12 ' A' ' 113' ' ' LEU . 5.7 m-70 -73.48 -26.31 60.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -42.35 -39.28 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -100.18 -51.63 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -82.63 140.24 44.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.46 ' HA ' ' CG ' ' A' ' 127' ' ' ARG . 54.0 Cg_endo -69.7 142.05 47.16 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.738 2.292 . . . . 0.0 112.342 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' A' ' 108' ' ' HIS . 2.5 tt -91.05 90.19 7.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.5 p -56.02 134.53 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.545 ' OD2' ' CZ ' ' A' ' 68' ' ' PHE . 10.8 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.352 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.1 p -170.64 148.05 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.5 t -158.38 128.43 5.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.46 ' CG ' ' HA ' ' A' ' 112' ' ' PRO . 45.6 mtt180 -79.21 144.26 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 14.9 mt -71.56 126.25 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -130.35 -41.8 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 15.6 m-85 -102.07 154.63 18.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -132.54 95.66 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.3 t -87.31 135.77 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -113.13 113.08 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.418 HG21 ' C ' ' A' ' 34' ' ' SER . 3.6 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -54.92 -50.74 68.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -88.3 -46.5 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.88 153.62 41.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -173.71 158.24 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -39.83 147.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.95 159.54 29.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' PHE . 54.1 Cg_endo -69.79 2.83 3.2 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.641 2.227 . . . . 0.0 112.353 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' PRO . 39.7 t80 -34.53 -56.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -111.37 106.34 15.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 m -126.4 66.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.7 m -74.3 -60.03 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' ALA . 10.2 m-85 -47.54 -50.25 24.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -34.17 -54.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.75 -47.54 30.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' PHE . 11.1 mm-40 -58.17 -40.15 80.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -52.24 -42.44 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.32 -37.19 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -96.29 24.64 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.0 mt -130.15 -31.7 1.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.5 mt -63.25 127.1 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.33 -35.25 5.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 66.1 mmtt -44.12 136.87 3.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.54 12.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.307 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.576 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 23.8 p-90 -113.29 -21.9 10.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 43.4 t80 -67.26 98.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.47 -21.29 66.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.524 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 73.74 -155.15 49.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.86 43.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.55 149.55 24.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -49.04 144.66 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 20.3 ttp180 -58.43 -49.78 76.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -50.95 -49.72 59.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.414 ' HB3' ' CG2' ' A' ' 134' ' ' VAL . 45.2 m -52.73 -43.55 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.45 -43.81 68.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -69.31 -43.08 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.23 -56.79 16.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.46 -26.61 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' CD1' HG13 ' A' ' 65' ' ' VAL . 46.5 mt -82.45 -51.98 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.407 ' NE2' HG21 ' A' ' 72' ' ' VAL . 22.1 m-70 -55.98 -32.24 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 42' ' ' SER . 5.3 ptm180 -71.73 -30.0 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 46.9 t -64.51 -52.7 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.7 t30 63.66 41.05 7.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -134.79 87.13 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.469 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -42.57 108.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.78 -16.74 3.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.528 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.8 m -67.1 155.15 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 110.847 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 128' ' ' LEU . 37.2 p90 -150.51 167.49 27.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 2.1 pp -172.19 126.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.4 mm -88.23 127.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 13.0 ptt180 -117.58 119.05 33.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -49.18 136.94 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.2 p -70.45 -176.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.8 167.42 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.92 134.99 19.58 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 73.18 41.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.61 148.43 24.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.7 t -127.62 -61.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -60.03 -34.54 73.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -122.78 86.59 50.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.641 0.734 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.7 -48.15 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.474 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 35.7 m-85 -139.48 176.41 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.4 m -145.77 127.23 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.6 tp -87.04 140.8 29.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 39' ' ' LEU . 11.5 t -130.29 98.87 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.25 117.52 29.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -83.87 133.38 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.1 t80 -120.77 179.49 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.469 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 1.3 t30 -41.92 91.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' PHE . 25.0 mmtp 56.11 41.96 28.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.437 ' HG2' ' C ' ' A' ' 70' ' ' LYS . 20.6 mmt85 -146.28 165.47 29.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.407 HG21 ' NE2' ' A' ' 40' ' ' HIS . 34.7 t -142.42 119.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -118.02 112.93 20.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -104.1 97.28 7.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.5 mt -90.95 131.61 36.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 126.41 13.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.303 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -95.59 82.26 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.6 mtt85 -64.45 159.09 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 22.4 t80 -127.92 106.02 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.29 89.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.177 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 82' ' ' ALA . 24.7 tt0 -50.48 -41.11 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -33.98 -44.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.1 p -123.53 4.32 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 36.1 mmtt 60.65 35.67 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -106.43 178.71 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -126.31 147.65 49.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -141.78 164.33 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.426 ' N ' HD22 ' A' ' 88' ' ' LEU . 4.3 mm? -105.77 139.93 39.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.92 179.36 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -53.62 175.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -73.29 147.58 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -133.74 177.62 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -83.37 47.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.97 43.08 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.61 163.72 20.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.39 133.35 38.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -111.49 113.9 26.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.504 ' CD2' HG12 ' A' ' 104' ' ' ILE . 54.4 m-85 -102.85 169.82 8.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.32 -29.18 15.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -157.54 169.07 25.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.56 -47.03 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.09 -39.39 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.47 -41.86 90.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.517 ' O ' ' CG ' ' A' ' 108' ' ' HIS . 77.1 mt -54.14 -35.05 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.417 HG11 ' CZ ' ' A' ' 48' ' ' PHE . 96.9 t -83.31 -47.08 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -56.67 -52.29 65.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -63.9 -40.32 96.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -63.38 -43.38 97.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' HIS . 21.1 mt-30 -34.96 -41.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -102.02 -43.15 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -84.13 133.45 45.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.18 49.77 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 30.9 tp -113.39 92.83 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.444 ' CG1' HD12 ' A' ' 116' ' ' ILE . 85.8 t -48.4 126.43 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.24 84.54 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.444 HD12 ' CG1' ' A' ' 114' ' ' VAL . 51.5 mm -85.78 86.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 118' ' ' SER . 4.6 t70 -71.96 97.39 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' ASP . 81.0 p -34.53 -47.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -66.82 -58.38 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -100.39 90.93 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -60.9 85.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 63.6 p -134.9 104.46 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -70.26 93.78 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -142.52 105.56 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.5 p -98.99 162.77 12.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.0 t -158.89 131.9 7.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -82.56 121.14 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 59.5 mt -41.74 117.43 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -120.96 -40.67 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -107.44 158.8 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -132.67 97.17 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.9 t -101.8 104.64 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -100.36 126.56 46.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 34' ' ' SER . 8.5 p -75.57 153.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.3 t -158.19 130.33 6.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.3 t -85.4 -54.15 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 123.56 170.73 13.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -40.46 5.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.25 . . . . 0.0 112.355 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.2 t -63.77 107.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.2 t -90.54 111.88 23.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -137.34 137.79 39.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -66.72 -55.62 14.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.92 65.13 1.56 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 p -149.75 167.34 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -121.31 104.13 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.56 -119.35 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.53 51.3 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -66.34 169.94 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -103.9 159.23 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' THR . 88.6 p -86.77 -42.8 13.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' SER . 96.7 m -34.4 -49.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.5 m-85 -79.01 -52.86 7.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.67 -48.91 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.07 -37.53 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' PHE . 24.9 mm-40 -66.65 -45.02 80.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -47.07 -45.03 21.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.83 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.9 18.47 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 mt -123.2 -31.63 3.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 mt -61.48 125.89 25.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.54 -35.44 4.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -49.04 137.01 14.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.557 0.694 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.02 17.58 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CZ3' HG13 ' A' ' 50' ' ' ILE . 37.9 p-90 -111.28 -30.21 7.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.447 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 18.7 t80 -62.03 97.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.43 -17.07 63.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 74.75 -153.44 45.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.17 42.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.75 150.27 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.77 144.92 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -58.94 -49.93 75.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -48.04 -53.7 15.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -50.03 -38.18 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.6 -50.1 75.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.14 -36.26 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -69.79 -51.63 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.84 -24.72 24.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' CD1' HG11 ' A' ' 65' ' ' VAL . 39.8 mt -89.0 -48.92 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.417 ' NE2' HG21 ' A' ' 72' ' ' VAL . 21.2 m-70 -60.5 -29.51 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 42' ' ' SER . 8.0 ptm180 -72.72 -40.79 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 8.9 t -55.91 -50.13 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.451 ' ND2' ' HZ2' ' A' ' 70' ' ' LYS . 35.9 t-20 66.56 46.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -132.76 83.59 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.08 120.26 1.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.14 -18.35 8.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 m -58.54 155.98 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.39 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 34.1 p90 -151.61 153.7 34.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' C ' ' CD1' ' A' ' 49' ' ' LEU . 1.2 pp -159.93 135.65 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.517 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 23.5 mm -96.11 130.34 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.0 ptt85 -119.89 125.48 48.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -59.56 141.01 55.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.7 t -45.47 117.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -54.2 -42.02 69.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -96.76 160.64 21.78 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -76.47 94.98 3.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -129.08 177.43 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.1 t -124.25 -41.17 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -40.65 98.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -111.47 88.65 9.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.451 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.7 -45.11 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.487 ' CD2' HG22 ' A' ' 101' ' ' VAL . 20.5 m-85 -141.34 174.05 10.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.2 m -144.21 126.07 15.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.172 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 tp -85.12 131.99 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.46 HG11 ' CD1' ' A' ' 39' ' ' LEU . 46.3 t -119.36 102.13 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.82 121.17 30.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -87.05 115.96 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -102.64 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.4 91.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' PHE . 72.0 mmtt 61.17 40.95 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.404 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 32.5 mtp180 -153.9 158.49 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.427 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 54.0 t -135.63 120.75 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -110.83 119.38 38.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.94 98.92 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.0 mt -94.38 121.52 63.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 127.73 15.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.2 t -98.62 85.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -74.97 153.34 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -117.71 123.92 47.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 mp -93.94 121.05 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' ALA . 34.5 tt0 -76.82 -35.94 57.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -37.24 -39.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.1 p -128.07 -3.38 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt 67.79 41.52 2.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -118.52 177.32 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -121.52 158.11 29.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.46 176.48 9.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 2.2 mm? -117.42 142.6 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.7 161.68 36.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.73 -12.66 28.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -105.62 152.29 23.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 95' ' ' GLU . 3.8 ttmm -69.34 -32.13 71.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' LYS . 14.9 t-20 -35.07 99.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.78 45.16 35.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 92' ' ' LYS . 16.9 pt-20 -72.55 127.12 31.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -112.42 135.52 53.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -105.01 123.09 47.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 104' ' ' ILE . 85.7 m-85 -108.85 -75.14 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.12 -13.53 3.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 p -167.85 158.95 11.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.487 HG22 ' CD2' ' A' ' 62' ' ' TYR . 35.6 t -64.03 -43.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.53 -44.28 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -59.82 -42.08 92.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.57 ' HA ' ' CD1' ' A' ' 98' ' ' PHE . 63.2 mt -50.12 -41.68 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 94.9 t -81.01 -54.24 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -44.96 -37.94 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.487 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 3.2 m -75.17 -39.49 60.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.74 -12.33 52.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -67.71 -33.67 75.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -107.85 20.25 19.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 107' ' ' SER . 4.4 p30 -156.9 143.47 13.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.735 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.467 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 54.4 Cg_endo -69.72 141.82 46.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.8 tp -98.05 101.73 13.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 115' ' ' LEU . 4.6 p -55.45 135.39 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.432 ' N ' HG21 ' A' ' 114' ' ' VAL . 26.1 mt -128.45 104.04 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 63.9 mt -112.6 86.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -115.24 36.03 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 m -145.73 152.92 40.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -84.53 47.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -143.69 178.6 7.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -92.53 70.03 4.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.4 p -134.9 113.16 11.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -107.08 88.01 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -86.95 85.33 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.2 p -88.64 141.76 28.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.8 t -145.36 134.54 22.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 45.1 mtm180 -77.98 152.15 33.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.555 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 38.7 mt -81.76 111.74 18.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -110.7 -44.39 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.5 m-85 -103.96 150.47 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -130.26 98.5 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -99.89 119.01 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -107.08 132.05 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 5.2 p -82.99 150.18 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.181 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 43.9 t -153.16 138.05 17.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 137' ' ' GLY . 16.2 t -40.05 -45.91 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 136' ' ' SER . . . -32.86 96.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 136' ' ' SER . 53.3 Cg_endo -69.78 162.41 42.21 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.636 2.224 . . . . 0.0 112.353 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.9 m -105.05 81.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 59.5 p -148.14 138.03 22.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -98.61 -51.49 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -112.29 -60.13 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.43 149.92 19.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.544 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -91.68 93.61 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -152.92 175.73 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.74 -157.89 20.2 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 1.87 4.02 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.748 2.298 . . . . 0.0 112.329 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -96.79 140.21 31.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 43.34 49.31 5.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 t -93.35 42.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -88.91 -65.25 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 14' ' ' ALA . 9.8 m-85 -50.33 -42.8 53.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -33.93 -45.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -55.2 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -53.76 -38.44 64.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -56.5 -40.67 75.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.25 -38.83 42.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.51 24.72 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.8 mt -128.75 -31.31 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.56 128.69 36.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.37 -34.65 5.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 40.7 mmtt -43.3 137.85 2.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.53 0.681 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -4.08 13.31 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.447 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 27.5 p-90 -114.71 -20.45 10.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.514 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 27.6 t80 -69.45 93.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.404 ' CB ' HD12 ' A' ' 49' ' ' LEU . . . -66.09 -22.03 66.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.514 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 81.32 -144.94 24.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.38 42.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.6 p -67.9 -177.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.55 156.19 16.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.86 -39.98 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -72.32 -59.73 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 m -41.03 -43.5 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.24 -52.89 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.61 -46.36 90.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 39' ' ' LEU . 31.4 mm-40 -55.69 -66.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.13 -26.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 65' ' ' VAL . 71.6 mt -84.37 -54.89 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.42 ' NE2' HG22 ' A' ' 72' ' ' VAL . 21.0 m-70 -56.21 -30.02 61.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 42' ' ' SER . 9.1 ptm180 -72.72 -32.05 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.452 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 22.9 t -64.46 -49.03 73.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 64.83 45.17 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.562 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 37.5 mtpt -134.83 81.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -35.74 126.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.54 -25.72 7.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 m -51.42 156.89 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 24.1 p90 -157.81 161.86 38.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 49' ' ' LEU . 3.4 pp -166.61 139.01 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.415 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 11.6 mm -95.13 120.86 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -112.09 123.59 50.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' SER . 49.5 tttm -62.26 140.22 58.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' LYS . 30.5 t -35.89 151.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.3 p -81.43 44.02 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.46 -146.99 15.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -106.63 115.18 29.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -143.6 176.71 9.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t -129.94 -43.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -69.99 -32.35 70.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -120.79 84.95 38.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -42.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.731 2.287 . . . . 0.0 112.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -144.36 178.69 7.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.9 m -151.0 126.95 10.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.409 HD21 ' CD1' ' A' ' 113' ' ' LEU . 24.3 tp -85.75 137.9 32.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 39' ' ' LEU . 8.4 t -123.48 100.24 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.59 119.83 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -85.8 118.19 25.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -104.13 176.05 5.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -46.51 89.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' PHE . 1.4 mmmp? 63.93 38.3 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -151.92 160.89 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.42 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 61.7 t -136.19 122.56 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -111.76 115.74 29.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -99.67 103.0 14.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.0 mt -99.26 122.56 51.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 118.44 5.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -88.58 80.44 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -59.11 163.27 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -131.71 111.34 11.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.61 90.21 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -51.65 -34.12 36.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.44 -38.25 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.9 p -124.71 6.57 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 54.33 29.2 10.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -104.52 -179.38 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.44 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 87.0 m-85 -128.05 146.13 50.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -135.43 160.89 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.1 136.92 41.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.47 -140.98 47.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -103.91 178.2 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -47.42 143.2 3.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -147.12 129.49 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -40.94 97.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.95 54.8 6.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' CD ' ' C ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -73.49 162.89 28.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -100.45 127.06 46.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -92.14 167.61 11.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD1' HG12 ' A' ' 104' ' ' ILE . 63.4 m-85 -144.53 114.74 7.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.31 -40.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.44 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 m -149.36 -179.78 7.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.9 t -70.56 -48.16 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.168 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 66.1 t -47.58 -44.92 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -55.68 -46.64 77.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.565 HG12 ' CD1' ' A' ' 98' ' ' PHE . 74.2 mt -47.16 -38.84 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 94.7 t -81.58 -45.69 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -54.5 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -55.25 -44.47 75.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -52.22 -44.48 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 108' ' ' HIS . 68.2 mt-30 -31.18 -43.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -90.54 -46.02 8.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -91.61 124.51 60.57 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.639 0.733 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.33 47.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.409 ' CD1' HD21 ' A' ' 64' ' ' LEU . 3.4 tt -91.53 85.91 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.466 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 10.4 p -42.01 124.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.5 mt -106.92 126.94 52.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.471 ' N ' HD13 ' A' ' 116' ' ' ILE . 4.9 mp -126.65 116.32 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -95.32 114.59 26.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.14 46.17 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 41.53 36.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -87.8 149.3 24.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -40.9 -38.98 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 36.2 p -48.01 101.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -108.54 17.02 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 123' ' ' LYS . 16.9 m-20 -33.95 104.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 86.4 p -100.15 149.94 23.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.6 t -143.81 147.86 34.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -102.86 129.76 49.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.566 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 24.4 mt -53.42 104.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -109.21 -45.88 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.562 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.4 m-85 -103.09 149.71 24.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -122.16 93.82 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.99 104.67 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -98.96 127.73 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 4.0 p -80.45 153.09 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.0 p -158.93 128.27 5.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.8 t -150.05 112.05 4.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 154.78 154.65 6.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.431 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -1.69 8.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.246 . . . . 0.0 112.311 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.8 m -136.37 143.62 44.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 39.9 t -38.42 141.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.503 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -63.51 -48.09 79.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.822 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -73.25 165.69 24.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.5 134.53 4.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -118.81 147.02 44.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.8 p -94.4 154.54 17.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.45 93.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -20.02 35.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -121.84 163.41 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -41.78 161.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.1 m -43.6 158.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.1 m -123.17 -60.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -76.71 -50.84 12.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.01 -43.71 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -43.63 98.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -58.95 -37.11 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -56.5 -38.62 72.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.32 -34.1 45.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.056 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.72 23.87 9.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.4 mt -126.34 -30.19 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.6 mt -65.77 125.4 25.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.41 -34.68 5.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.491 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 41.6 mmtt -45.24 137.14 5.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -6.64 19.09 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.491 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 19.6 p-90 -108.46 -28.48 9.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.509 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 28.9 t80 -61.04 97.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.954 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.77 -17.15 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.509 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 79.69 -138.63 20.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.85 37.29 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.177 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.1 p -63.12 174.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -93.26 166.1 12.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -60.66 -35.01 75.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -75.15 -66.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 m -38.46 -38.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.67 -49.15 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.067 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.97 -42.58 89.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.86 -60.2 4.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.92 -26.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.4 mt -85.14 -55.41 4.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.411 ' NE2' HG22 ' A' ' 72' ' ' VAL . 22.8 m-70 -56.28 -29.88 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -74.85 -36.7 62.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.1 t -58.14 -47.99 81.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 63.4 42.55 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.468 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 33.8 mtmt -134.31 82.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -35.49 132.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.9 -21.4 20.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -56.42 156.53 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 19.2 p90 -157.02 162.28 39.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.433 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 4.0 pp -168.4 127.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mm -83.94 124.62 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.6 ptt85 -116.51 121.76 42.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.36 146.67 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.7 p -45.0 165.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 p -101.28 85.11 2.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.45 -135.99 9.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -126.66 103.7 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.35 173.0 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -126.28 -42.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -52.9 -45.91 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -118.55 91.61 42.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -47.66 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -139.53 173.01 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 64' ' ' LEU . 97.8 m -144.67 137.36 26.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.442 ' CD2' ' CD2' ' A' ' 113' ' ' LEU . 9.5 tp -92.52 145.98 24.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.4 t -134.17 96.2 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.45 118.64 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -84.02 114.73 21.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 124' ' ' ASP . 1.5 t80 -102.28 -179.82 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -47.02 91.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' PHE . 40.5 mmtt 58.45 33.97 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HG2' ' C ' ' A' ' 70' ' ' LYS . 27.1 mmt180 -144.15 156.88 44.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.411 HG22 ' NE2' ' A' ' 40' ' ' HIS . 49.0 t -133.81 120.87 38.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -112.08 117.05 31.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.33 102.16 13.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.5 mt -96.72 122.15 57.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.07 16.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.8 t -101.5 86.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -74.67 154.07 38.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -119.06 129.59 55.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.473 HG12 ' CE2' ' A' ' 97' ' ' TYR . 5.0 mp -103.23 114.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 82' ' ' ALA . 28.9 tt0 -66.0 -43.31 88.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.35 -56.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.6 p -110.71 8.1 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt 50.61 45.37 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -119.95 173.4 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 8.8 m-85 -118.96 146.06 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.568 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . . . -131.89 164.84 25.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -112.52 139.03 48.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.64 -177.03 49.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.8 pttm -111.19 -20.69 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.353 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -106.65 132.16 52.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 95' ' ' GLU . 1.9 mtmp? -51.21 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 92' ' ' LYS . 44.8 t-20 37.89 38.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.39 16.39 34.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 92' ' ' LYS . 13.3 mt-10 -45.8 131.23 9.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -97.63 126.32 42.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.568 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 5.2 m-30 -99.72 109.73 22.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CD1' HG12 ' A' ' 104' ' ' ILE . 3.1 m-85 -97.16 158.73 15.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.26 59.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.563 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 3.2 m -163.8 -178.77 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 110.876 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 87.1 t -59.52 -53.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.1 t -42.75 -43.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.46 -43.96 92.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.567 HG12 ' CD1' ' A' ' 98' ' ' PHE . 67.6 mt -50.48 -49.63 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.5 HG13 ' CE2' ' A' ' 48' ' ' PHE . 96.3 t -74.12 -59.32 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -39.81 -58.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -60.03 -42.54 94.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -57.64 -37.0 72.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -41.14 -42.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -100.08 -47.62 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.419 ' C ' ' HG2' ' A' ' 127' ' ' ARG . 36.0 m-80 -77.52 137.51 63.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 145.08 56.23 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.442 ' CD2' ' CD2' ' A' ' 64' ' ' LEU . 42.4 tp -110.78 80.88 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 123' ' ' LYS . 8.6 p -42.48 131.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.5 mt -113.14 122.77 48.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 123' ' ' LYS . 32.4 mm -115.94 95.32 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' SER . 27.2 t0 -103.28 37.83 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' ASP . 18.2 m 35.3 49.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -121.05 106.92 12.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.5 m120 47.66 28.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 49.68 44.46 24.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.8 p -110.47 113.0 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 116' ' ' ILE . 8.4 pttt -97.48 106.75 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 11.5 m-20 -103.32 88.73 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.436 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.1 p -77.58 139.31 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.2 t -145.46 142.11 28.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.419 ' HG2' ' C ' ' A' ' 111' ' ' ASN . 23.3 mtm180 -93.56 133.82 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.555 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 27.1 mt -55.71 116.71 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -117.73 -39.68 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.468 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 29.0 m-85 -107.66 150.05 27.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.63 98.77 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 78.7 t -102.25 104.93 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -98.83 119.5 37.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.2 p -76.17 172.06 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.2 t -153.54 114.06 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.1 p -174.19 176.83 2.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -173.42 79.32 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 158.22 57.77 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.9 t -155.5 148.44 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 25.5 p -113.35 112.9 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -75.07 107.53 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 p -42.73 -55.94 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.49 79.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 t -41.61 156.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t 46.37 42.55 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.13 144.38 15.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -11.02 30.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -59.52 -53.81 53.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -157.99 148.33 20.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 m -121.72 102.61 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.9 m -84.88 -48.12 9.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -97.68 -48.15 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.06 -43.89 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -54.63 41.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -45.81 -40.25 9.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -50.63 -39.6 50.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.05 -40.64 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -94.92 24.38 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -126.13 -31.62 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.1 134.72 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.03 -36.0 4.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.522 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 47.2 mmtt -44.93 134.7 5.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -4.66 14.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.522 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 20.3 p-90 -110.97 -21.52 11.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 33.1 t80 -67.45 95.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.73 -22.34 66.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 81.88 -152.94 32.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.13 47.07 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.56 169.62 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.48 150.77 38.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -59.67 -44.57 93.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -54.8 -57.75 10.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 m -50.33 -45.99 55.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -45.88 62.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -65.76 -44.73 84.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.73 -46.55 84.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.76 -29.95 63.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.0 mt -83.02 -54.14 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.431 ' CD2' HG22 ' A' ' 72' ' ' VAL . 24.0 m-70 -55.77 -30.24 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 42' ' ' SER . 5.1 ptm180 -73.29 -30.38 63.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 27.4 t -67.95 -49.42 61.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 65.42 46.43 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 45' ' ' ASP . 16.8 mtpp -134.71 82.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -35.91 129.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.77 -29.5 7.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -46.92 152.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 0.0 110.871 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 33.9 p90 -149.73 158.52 44.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 pp -163.43 142.76 8.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.437 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 17.4 mm -103.17 131.11 52.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -118.43 123.1 44.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.15 137.92 57.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 p -42.3 156.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.4 p -100.46 -43.77 6.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.74 -171.95 42.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -97.89 43.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.339 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.01 168.26 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -123.59 -47.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -40.97 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -115.9 92.84 36.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -49.18 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.378 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -134.97 173.92 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.8 m -144.82 132.99 21.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 113' ' ' LEU . 56.0 tp -92.19 148.2 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 32.8 t -134.48 95.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.13 125.0 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.083 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -91.03 116.15 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -103.02 -177.32 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 34.4 p-10 -44.92 89.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 68' ' ' PHE . 28.7 mmtp 58.52 37.75 25.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -147.45 159.94 43.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 58.2 t -131.24 123.71 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -115.04 109.75 18.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -96.3 101.06 12.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.0 mt -95.01 131.65 29.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 126.04 12.82 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -96.52 85.8 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -62.91 158.65 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -118.71 129.83 55.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.4 mm -99.73 75.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' ALA . 13.3 tt0 -43.36 -46.95 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -36.5 -46.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 p -124.73 19.91 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt 47.06 39.78 8.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.424 ' CD ' ' HB3' ' A' ' 97' ' ' TYR . 28.1 mt-30 -106.83 -174.04 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.486 ' CZ ' HG22 ' A' ' 101' ' ' VAL . 85.5 m-85 -136.48 149.29 48.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.421 ' C ' HD23 ' A' ' 88' ' ' LEU . . . -126.12 178.22 5.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 87' ' ' ALA . 3.8 mm? -126.53 139.1 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.94 177.1 49.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.31 36.61 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.9 tttm -148.11 165.6 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -87.13 -22.27 25.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -45.08 99.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.39 35.69 69.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.28 126.92 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.549 ' HG2' ' CZ ' ' A' ' 98' ' ' PHE . 2.9 tp10 -117.8 131.63 56.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.424 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 18.8 m-85 -95.55 122.51 38.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.549 ' CZ ' ' HG2' ' A' ' 96' ' ' GLU . 80.4 m-85 -112.29 124.9 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -36.24 -43.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -155.81 170.85 21.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.486 HG22 ' CZ ' ' A' ' 86' ' ' TYR . 93.2 t -55.33 -49.87 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.3 t -53.06 -38.96 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.65 -40.27 91.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.468 HG12 ' CG ' ' A' ' 98' ' ' PHE . 86.2 mt -54.94 -41.07 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.2 t -76.48 -47.72 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -56.71 -39.54 74.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.5 t -67.84 -53.84 23.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.462 ' O ' ' C ' ' A' ' 109' ' ' GLN . 5.3 m-70 -49.88 -37.49 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' HIS . 64.1 mt-30 -32.79 -41.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.408 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 36.6 m-70 -93.53 -51.89 4.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -91.85 132.45 32.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.437 ' HB2' ' N ' ' A' ' 126' ' ' THR . 53.9 Cg_endo -69.72 138.45 37.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.733 2.288 . . . . 0.0 112.319 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.464 ' CD2' HD21 ' A' ' 64' ' ' LEU . 35.4 tp -78.09 87.01 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.445 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.1 p -39.86 141.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.4 mt -136.6 128.09 28.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.401 ' CD1' HG21 ' A' ' 114' ' ' VAL . 5.4 mp -126.32 85.4 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -102.19 33.57 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 91.9 p -171.51 136.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.78 44.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -111.58 38.04 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 39.59 40.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 25.4 p -120.53 127.41 52.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -119.09 102.44 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.22 94.53 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.445 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 52.5 p -98.0 141.44 30.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.437 ' N ' ' HB2' ' A' ' 112' ' ' PRO . 4.5 t -144.46 139.8 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 110' ' ' HIS . 39.7 mtm180 -84.02 138.66 32.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.554 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 46.2 mt -65.97 104.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -104.39 -45.86 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -104.31 146.62 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -125.9 94.65 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 93.7 t -96.75 128.75 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -112.23 137.07 50.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 4.8 p -87.9 150.95 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.5 t -154.11 144.09 21.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.9 t -77.58 -70.11 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 100.32 -114.31 4.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 122.04 8.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.386 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 83.9 p -76.4 163.67 26.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.5 t -114.33 -48.25 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m 55.46 45.75 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.894 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 p -138.58 145.91 41.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.85 153.89 9.34 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 p -96.03 162.96 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.7 p -138.97 170.99 14.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.76 158.94 30.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -172.5 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.312 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -109.17 42.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -157.95 142.49 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -102.67 73.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.572 ' HB ' ' CE1' ' A' ' 13' ' ' PHE . 64.9 p -129.99 134.89 47.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 0.3 OUTLIER 40.0 24.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -92.45 -38.43 11.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.54 -42.69 74.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' C ' HD12 ' A' ' 20' ' ' LEU . 10.5 mm100 -53.71 -40.48 66.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 1.4 tm-20 -54.77 -36.75 65.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.63 69.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -95.44 28.8 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 17' ' ' GLU . 22.2 mt -129.43 -29.51 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.5 mt -62.86 136.66 57.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.51 -36.25 4.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.518 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 66.2 mmtt -45.85 135.42 6.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -4.63 14.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.518 ' CE2' ' HB3' ' A' ' 23' ' ' LYS . 19.5 p-90 -111.08 -24.49 10.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.496 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 22.7 t80 -64.49 92.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.25 -20.59 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.496 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 80.23 -161.84 45.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.37 44.13 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.724 0.297 . . . . 0.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.79 174.84 9.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.83 162.53 23.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HG3' ' NH1' ' A' ' 51' ' ' ARG . 23.8 ttp180 -70.25 -42.37 72.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -54.09 -55.42 27.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.4 ' HB3' ' CG2' ' A' ' 134' ' ' VAL . 7.8 m -56.13 -40.92 74.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.52 87.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -74.05 -41.37 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.2 -51.45 66.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.95 -26.93 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 65' ' ' VAL . 51.1 mt -83.68 -52.62 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.425 ' NE2' HG22 ' A' ' 72' ' ' VAL . 18.5 m-70 -57.42 -31.48 65.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.0 ptm180 -71.44 -31.91 67.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 10.5 t -65.67 -43.4 89.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.4 t30 58.78 45.63 15.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.481 ' HD2' ' CE2' ' A' ' 130' ' ' TYR . 27.8 mtmt -134.8 81.11 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -36.3 126.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.46 -20.89 10.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -57.37 151.68 15.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 33.7 p90 -151.01 153.14 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.5 pp -156.88 133.48 10.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.47 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 9.0 mm -94.13 120.9 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' NH1' ' HG3' ' A' ' 32' ' ' ARG . 18.7 ptt180 -111.09 127.01 55.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -63.92 140.97 58.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -41.62 118.41 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.9 p -127.04 90.56 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 151.0 -120.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -126.17 105.71 9.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -137.27 175.87 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -132.23 -56.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -118.47 43.8 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.459 ' NE2' ' HB3' ' A' ' 76' ' ' PRO . 3.9 tt0 -131.96 96.89 19.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.545 ' HB2' ' CD1' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.71 -44.38 2.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CD1' ' HB2' ' A' ' 61' ' ' PRO . 28.2 m-85 -145.54 174.91 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.0 m -142.13 121.33 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.4 tp -79.97 145.7 32.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 39' ' ' LEU . 15.4 t -133.53 96.94 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.64 120.51 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.037 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -87.02 118.52 26.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.3 t80 -105.06 -178.23 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -49.34 87.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' PHE . 22.8 mmmt 63.52 39.09 9.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -150.52 157.71 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.438 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 61.3 t -134.16 117.88 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -108.06 117.29 33.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.401 HD21 ' CG1' ' A' ' 65' ' ' VAL . 1.6 m120 -96.79 101.81 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.1 mt -100.82 122.11 50.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.459 ' HB3' ' NE2' ' A' ' 60' ' ' GLN . 54.2 Cg_endo -69.73 130.55 19.57 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.31 76.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 ttm-85 -56.13 158.73 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -122.73 102.19 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mp -78.37 93.27 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 82' ' ' ALA . 17.9 tt0 -57.55 -37.57 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -35.35 -39.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 p -129.38 2.02 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 63.94 40.05 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -119.36 174.21 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.519 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 9.7 m-85 -122.06 144.39 48.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -138.36 150.56 46.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.429 HD21 ' CG2' ' A' ' 104' ' ' ILE . 4.0 mm? -81.35 141.25 34.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.23 166.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -51.83 -178.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -64.76 122.07 16.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -115.95 166.21 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -54.68 -55.71 26.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -120.15 64.35 0.46 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.548 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.46 170.5 13.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.813 0.34 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -122.7 136.07 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -101.63 139.78 36.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CD1' HG12 ' A' ' 104' ' ' ILE . 59.2 m-85 -117.19 -46.21 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.13 -35.76 3.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.519 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 1.9 m -161.95 159.48 26.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.837 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 91.2 t -52.31 -48.81 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.0 t -52.27 -46.82 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -55.07 -56.46 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 98' ' ' PHE . 97.0 mt -41.93 -36.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.33 -48.44 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -54.37 -41.84 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 m -68.74 -45.68 70.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.415 ' NE2' ' HG ' ' A' ' 113' ' ' LEU . 5.2 m-70 -57.9 -37.38 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 108' ' ' HIS . 80.4 mt-30 -37.15 -36.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -104.39 -48.36 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' HIS . 80.8 m-20 -84.16 140.08 39.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.465 ' HA ' ' CG ' ' A' ' 127' ' ' ARG . 53.9 Cg_endo -69.84 139.18 39.32 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.643 2.228 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.415 ' HG ' ' NE2' ' A' ' 108' ' ' HIS . 2.5 tt -83.77 93.27 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.421 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.9 p -59.27 119.06 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 27.8 mt -110.24 112.16 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.92 95.12 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 118' ' ' SER . 28.6 t70 -73.77 85.66 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 117' ' ' ASP . 75.7 m -34.14 -45.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 118' ' ' SER . 5.0 tp60 -36.76 -51.51 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -130.46 163.16 27.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -81.23 59.36 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.2 p -136.83 110.44 8.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -98.33 102.17 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.29 114.98 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.421 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 59.9 p -98.85 136.87 38.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.3 t -146.17 129.06 16.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 112' ' ' PRO . 80.5 mtt180 -74.83 151.24 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 51.4 mt -79.53 109.59 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -108.15 -44.71 4.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.481 ' CE2' ' HD2' ' A' ' 44' ' ' LYS . 11.6 m-85 -103.85 152.13 22.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -132.06 92.52 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 67.2 t -88.48 135.21 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 135' ' ' SER . 27.3 ttpt -120.52 98.56 6.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 135' ' ' SER . 14.9 p -38.41 -30.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.457 ' N ' HG12 ' A' ' 134' ' ' VAL . 30.8 m -72.02 91.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.5 t -82.7 89.28 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 77.39 -174.48 54.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.24 15.73 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 m -97.61 124.54 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 33.0 t -72.12 131.62 43.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -41.85 -47.32 4.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.841 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m 52.38 45.37 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.99 -131.46 10.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t 66.98 41.92 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 p -144.82 172.04 13.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.67 159.31 22.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 173.16 11.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -91.15 160.97 15.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -106.92 125.83 51.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' THR . 93.4 p -69.21 -36.88 77.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' SER . 91.3 m -35.64 -54.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 14' ' ' ALA . 8.7 m-85 -82.39 -45.68 14.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -34.16 -55.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.17 -46.95 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 13' ' ' PHE . 21.0 mm100 -59.52 -46.51 88.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 27.6 tt0 -44.05 -40.13 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.37 -44.28 54.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -84.76 22.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.406 ' CD1' ' HA ' ' A' ' 17' ' ' GLU . 23.2 mt -128.23 -30.2 2.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.64 130.69 47.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.73 -38.68 3.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 59.8 mmtt -44.32 138.22 3.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.508 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 20.3 p-90 -109.43 -23.45 11.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 30.0 t80 -66.43 96.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.94 -21.13 66.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.51 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 88.48 -138.75 15.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.15 39.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -81.94 165.71 20.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.31 171.97 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -74.23 -31.42 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -64.12 -62.74 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.405 ' HB3' ' CG2' ' A' ' 134' ' ' VAL . 33.0 m -48.52 -41.76 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.57 -51.05 68.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.42 -39.41 93.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -57.76 -60.8 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.51 -25.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' CD1' HG12 ' A' ' 65' ' ' VAL . 14.9 mt -84.04 -54.23 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -58.04 -31.13 66.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 42' ' ' SER . 10.6 ptm180 -72.82 -35.22 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 13.1 t -63.25 -46.37 87.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 62.68 45.78 5.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.515 ' HE3' ' CE2' ' A' ' 130' ' ' TYR . 21.1 mtpp -133.9 83.76 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -37.8 116.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.43 -24.01 4.75 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.404 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 27.5 m -54.84 153.89 5.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CE2' ' CB ' ' A' ' 25' ' ' TRP . 30.7 p90 -155.56 153.12 29.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 pp -154.66 137.15 15.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.406 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 3.8 mm -96.63 118.35 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -105.18 126.63 52.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 26.2 tttp -78.88 136.0 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.2 t -103.57 145.43 30.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -130.2 156.79 44.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.73 -177.79 23.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -98.08 45.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.56 -59.65 2.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.9 p -170.99 -175.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -77.44 42.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -110.38 93.3 15.62 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.564 0.697 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -37.7 8.86 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.724 2.282 . . . . 0.0 112.335 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.439 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 19.9 m-85 -144.47 166.11 26.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.9 m -142.6 126.53 17.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.3 tp -88.41 138.25 31.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.447 HG12 ' CD1' ' A' ' 39' ' ' LEU . 57.4 t -124.48 98.02 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.23 117.4 25.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -83.31 118.84 23.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -105.96 -178.74 3.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -46.96 92.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' PHE . 7.4 mmmm 58.6 33.36 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -142.34 164.3 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.423 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 46.6 t -140.85 121.56 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -114.68 114.01 25.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 0.2 OUTLIER -101.34 97.1 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.8 mt -93.26 130.56 35.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 134.99 29.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.366 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -110.13 75.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -62.49 159.7 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -118.64 124.07 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.1 mp -102.17 99.39 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 82' ' ' ALA . 26.5 tt0 -61.23 -40.02 92.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.47 -37.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.1 p -134.34 6.23 3.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm 57.66 43.47 22.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -116.86 177.24 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.534 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 7.8 m-85 -134.81 135.82 42.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -125.6 157.13 37.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -96.72 135.05 39.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.44 -132.41 11.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -96.71 -175.66 3.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -75.63 131.56 40.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.46 ' HB3' ' CG ' ' A' ' 95' ' ' GLU . 5.6 tppt? -167.65 149.22 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -103.4 -7.81 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -99.08 2.13 57.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 92' ' ' LYS . 4.7 mm-40 -99.07 173.42 6.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.841 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 98' ' ' PHE . 3.5 pt-20 -76.43 133.94 39.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 87' ' ' ALA . 5.2 m-85 -125.19 153.76 42.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 96' ' ' GLU . 4.8 m-85 -131.32 162.2 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.37 -42.92 93.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.534 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.7 m -145.48 -177.53 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.864 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 86' ' ' TYR . 93.7 t -67.21 -52.82 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.7 t -47.72 -37.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -62.51 -43.88 97.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.559 HG12 ' CD1' ' A' ' 98' ' ' PHE . 62.0 mt -49.74 -42.47 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.34 -46.88 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -59.07 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -47.35 -27.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 110' ' ' HIS . 2.9 m-70 -80.52 -42.31 22.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' HIS . 87.8 mt-30 -34.38 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' HIS . 11.9 m170 -98.17 -48.84 4.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 108' ' ' HIS . 13.4 m-80 -97.85 137.02 20.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 142.5 48.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.309 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.5 tp -89.7 89.84 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.402 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 77.7 t -38.72 136.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.9 mt -127.52 85.77 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 23.8 mm -67.47 79.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -41.01 -53.98 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 92.2 p -157.5 -175.15 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -78.26 45.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -110.51 24.6 12.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 60.37 26.78 16.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.8 t -101.95 133.0 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 125' ' ' SER . 0.0 OUTLIER -128.68 25.05 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 123' ' ' LYS . 87.3 m-20 -35.24 93.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 123' ' ' LYS . 35.0 p -101.09 162.99 12.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.8 t -159.91 141.45 12.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -89.1 131.77 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.96 114.51 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -115.97 -42.45 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.515 ' CE2' ' HE3' ' A' ' 44' ' ' LYS . 12.1 m-85 -105.1 155.87 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -134.58 97.16 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 55.1 t -87.3 130.73 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -113.99 104.61 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.405 ' CG2' ' HB3' ' A' ' 34' ' ' SER . 9.8 p -65.83 161.66 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.0 t -163.95 137.6 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t -172.94 146.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 178.19 134.31 2.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 153.38 68.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.337 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.8 m -52.81 105.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.2 t -41.47 136.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.462 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -143.16 115.59 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -98.67 97.32 8.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.62 80.51 0.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.533 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -72.05 160.84 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -125.14 146.63 49.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.58 82.8 1.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.526 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' PHE . 53.5 Cg_endo -69.77 -18.52 36.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.323 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' PRO . 18.6 t80 -34.46 -53.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -80.59 120.15 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -133.51 86.9 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.2 m -87.93 -51.06 6.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ALA . 8.3 m-85 -94.35 -43.9 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -36.79 -48.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -46.44 88.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 13' ' ' PHE . 15.5 mm-40 -54.77 -40.36 69.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -52.9 -36.26 59.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.04 80.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -89.05 20.47 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.6 mt -129.58 -31.02 2.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.1 mt -60.67 124.09 19.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.85 -35.63 4.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -49.83 140.41 15.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -11.78 31.59 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.497 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 21.8 p-90 -105.17 -30.5 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 18.5 t80 -62.43 98.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.48 -11.8 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.506 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 71.56 -117.2 6.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.34 44.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.5 m -78.26 166.17 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.19 134.24 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.439 ' NH1' ' OE2' ' A' ' 36' ' ' GLU . 39.0 ttp85 -47.53 -38.02 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -58.45 -48.9 79.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.1 m -63.26 -35.4 80.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.85 89.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 32' ' ' ARG . 76.8 mt-10 -67.62 -30.85 70.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.92 -49.78 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.457 ' HA ' ' NE ' ' A' ' 41' ' ' ARG . . . -65.0 -27.25 68.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.8 mt -81.28 -49.01 11.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 30.9 m-70 -62.79 -31.98 73.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.457 ' NE ' ' HA ' ' A' ' 38' ' ' ALA . 6.3 ptp180 -74.44 -29.95 61.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 t -58.33 -40.93 83.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 t30 53.16 34.05 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -128.05 83.23 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -38.09 118.77 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.96 -24.76 5.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 m -56.87 155.96 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.822 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 128' ' ' LEU . 24.5 p90 -157.49 162.85 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.428 HD21 ' CG2' ' A' ' 134' ' ' VAL . 2.4 pp -160.14 140.21 11.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.5 mm -101.39 112.58 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -101.14 124.55 47.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 22.7 ttpt -68.65 141.94 55.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.7 t -129.22 134.19 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 96.4 p -169.19 149.42 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 56' ' ' HIS . . . 118.86 99.36 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.523 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.8 t60 33.92 54.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.842 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -128.99 -179.08 4.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -69.05 -172.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.92 43.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -109.2 94.32 15.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.688 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.449 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.75 -38.16 8.2 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 61' ' ' PRO . 14.1 m-85 -142.55 166.55 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.9 m -142.59 123.6 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.163 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.459 ' CD2' HD11 ' A' ' 113' ' ' LEU . 11.3 tp -87.2 129.82 34.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.33 102.02 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.0 119.27 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.424 ' CE1' ' HA ' ' A' ' 40' ' ' HIS . 66.7 t80 -82.8 118.0 23.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -104.47 177.9 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.45 92.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' PHE . 23.1 mmmt 62.12 38.11 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -151.19 167.42 27.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.2 t -143.81 120.6 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -113.61 111.55 22.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -99.84 97.05 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.8 mt -89.83 127.49 53.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.508 ' CG ' ' NH1' ' A' ' 78' ' ' ARG . 53.5 Cg_endo -69.82 122.27 8.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.95 76.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH1' ' CG ' ' A' ' 76' ' ' PRO . 1.3 mpt_? -58.41 174.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -138.99 120.21 14.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.45 115.68 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -74.4 -39.07 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -37.47 -40.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.3 p -127.45 -8.05 5.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.26 37.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -109.98 -176.18 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -127.76 156.6 42.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -149.27 154.59 39.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.21 140.08 29.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.33 -152.6 51.27 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -87.75 172.64 9.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -55.63 140.46 41.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -134.58 -177.83 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' GLY . 7.8 p30 -79.07 102.78 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 93' ' ' ASN . . . 37.34 54.73 1.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -78.15 168.55 19.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.99 130.31 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -104.8 172.59 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.528 ' CD1' HG12 ' A' ' 104' ' ' ILE . 48.7 m-85 -141.55 114.14 8.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -39.48 -39.58 1.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 m -148.7 168.75 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.7 -45.63 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.89 -35.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.72 -43.12 94.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.528 HG12 ' CD1' ' A' ' 98' ' ' PHE . 75.0 mt -52.55 -47.39 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.475 HG13 ' CE2' ' A' ' 48' ' ' PHE . 90.7 t -71.56 -46.52 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -54.04 -65.21 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.517 ' O ' ' CD2' ' A' ' 110' ' ' HIS . 1.9 m -47.41 -33.74 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 104' ' ' ILE . 4.9 m-70 -70.91 -33.85 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -40.22 -33.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 107' ' ' SER . 25.2 p80 -105.65 -46.84 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 107' ' ' SER . 2.1 p30 -87.9 141.04 31.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.747 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.95 49.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.459 HD11 ' CD2' ' A' ' 64' ' ' LEU . 2.6 tt -89.63 87.43 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.47 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.2 p -49.1 126.22 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 117' ' ' ASP . 29.0 mt -113.49 79.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.86 81.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -82.1 83.39 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.5 t -48.6 -22.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -48.92 -37.36 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 121' ' ' ASN . 6.6 m-20 -131.08 27.2 4.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 120' ' ' ASN . 2.0 p30 34.77 46.19 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.5 p -120.27 163.96 17.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -117.98 92.35 3.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -103.94 101.4 11.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.3 p -105.11 135.81 45.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.8 t -144.17 135.26 25.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -78.99 164.81 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 47.7 mt -91.79 107.5 19.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -106.67 -44.83 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 1.9 m-85 -105.82 150.63 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -127.56 97.47 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.86 121.15 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -105.99 102.72 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.428 ' CG2' HD21 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -62.45 -174.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 39.3 t -175.48 173.58 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.3 m -100.94 -32.1 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -115.26 155.42 16.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -20.56 34.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.2 m -88.18 164.68 15.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 64.7 p 41.13 45.57 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -55.61 -60.83 2.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -65.6 121.19 14.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.81 168.21 40.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -113.14 -70.93 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.827 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -44.89 131.36 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.08 138.1 9.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 63.79 39.93 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 12' ' ' THR . 4.4 m120 -165.54 111.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -57.45 83.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' ASN . 90.2 m -121.29 -65.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -81.02 -50.43 9.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.03 -50.19 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -41.88 91.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -57.92 -34.79 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -57.33 -37.71 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.39 -41.11 62.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -88.39 18.53 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.5 mt -126.48 -32.23 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.39 124.86 22.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.35 -32.32 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 59.1 mmtt -51.49 136.89 32.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.76 36.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.457 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 17.0 p-90 -94.02 -30.61 14.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.504 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 24.6 t80 -58.6 96.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.58 -14.32 62.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.504 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.5 -138.12 21.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.29 51.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.3 t -85.5 171.36 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.39 135.42 39.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 27.2 ttt180 -44.32 -40.11 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -57.64 -54.61 44.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -52.97 -39.63 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.98 -36.92 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -80.95 -39.78 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.47 -55.18 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.41 -24.59 31.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.457 ' CD1' HG13 ' A' ' 65' ' ' VAL . 27.3 mt -83.82 -51.03 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -58.38 -30.68 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 42' ' ' SER . 18.9 ptt180 -73.35 -30.86 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 7.9 t -59.19 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 t30 63.87 35.61 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' ASP . 22.1 mtpp -128.76 82.3 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' LYS . 1.1 p-10 -37.15 117.99 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.36 -16.47 6.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -62.08 156.51 21.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.553 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 20.7 p90 -157.0 156.51 33.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 4.0 pp -162.35 130.92 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.1 mm -89.9 118.16 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 21.1 ptt180 -109.53 126.89 54.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -63.83 141.48 58.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 p -44.04 132.55 5.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -90.01 -55.59 3.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.98 -171.69 32.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -89.28 81.0 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.23 175.04 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.8 m -113.04 -63.98 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -108.97 26.9 10.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -120.94 83.35 37.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.588 0.708 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.468 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.78 -40.15 5.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 19.1 m-85 -145.19 178.39 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.1 m -151.14 126.09 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.6 tp -82.82 136.9 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 39' ' ' LEU . 21.8 t -122.91 100.21 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.19 115.27 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -83.32 118.69 23.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -104.29 177.48 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -47.02 91.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' PHE . 33.9 mmtm 60.54 38.07 19.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -149.4 157.0 42.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.2 t -130.98 123.76 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -114.56 117.67 31.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -97.81 102.25 13.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.6 mt -97.29 122.05 56.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 127.03 14.02 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.358 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.91 80.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -63.03 159.06 17.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 40.8 t80 -128.7 126.04 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.8 96.7 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' ALA . 3.6 tp10 -55.19 -40.83 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -37.38 -44.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 p -123.32 8.39 9.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 25.7 mmtm 53.61 38.52 28.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -107.4 -179.08 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 57.8 m-85 -127.52 156.9 41.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.418 ' C ' HD21 ' A' ' 88' ' ' LEU . . . -152.21 166.43 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.605 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -108.88 166.95 10.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.68 169.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.428 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -67.15 -175.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -44.51 141.2 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -166.51 133.35 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -89.25 109.58 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.1 48.28 2.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.495 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -111.88 158.65 19.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -69.22 141.51 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.458 ' O ' ' CG ' ' A' ' 98' ' ' PHE . 71.3 m-85 -112.31 -179.77 3.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.525 ' CD2' HG12 ' A' ' 104' ' ' ILE . 91.4 m-85 -159.07 115.83 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -37.2 -40.13 0.54 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.8 m -147.95 177.92 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.399 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.69 -42.04 82.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.53 -43.05 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -56.9 -37.64 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.525 HG12 ' CD2' ' A' ' 98' ' ' PHE . 72.8 mt -58.77 -45.0 91.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 128' ' ' LEU . 96.4 t -72.7 -50.79 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -57.8 -56.78 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -54.98 -23.22 18.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 111' ' ' ASN . 2.0 m-70 -89.31 -35.23 16.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -37.61 -39.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -101.78 -50.87 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' HIS . 76.4 m-20 -77.85 138.39 61.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 143.64 51.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 tp -106.25 89.71 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.3 t -49.04 115.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.4 mt -97.73 83.63 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 39.7 mm -69.2 108.08 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 118' ' ' SER . 26.4 t0 -104.17 99.04 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 119' ' ' GLN . 33.3 t -36.56 -48.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 118' ' ' SER . 18.5 tt0 -34.89 -47.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -128.39 142.51 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -80.95 46.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 56.5 p -101.54 157.62 16.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -119.78 81.12 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -99.99 158.85 15.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.2 p -163.41 147.4 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.1 t -147.89 144.76 28.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -93.2 134.7 35.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.553 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 22.7 mt -56.93 113.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -112.55 -40.42 4.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 18.2 m-85 -111.78 159.42 18.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.75 96.41 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.11 133.07 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -113.34 103.58 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 134' ' ' VAL . 1.8 p -83.45 29.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.9 m -96.85 31.64 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 18.9 t -100.48 147.71 25.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 82.32 160.41 27.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 174.96 8.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.2 t -105.99 -56.85 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 87.1 p -69.57 121.71 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 p -51.2 134.94 26.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.4 p 44.99 41.84 5.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.55 103.11 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.54 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.2 p -172.25 159.67 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -130.3 -53.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.15 84.13 0.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.61 3.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -60.01 -61.19 2.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -80.84 142.85 33.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.8 p -95.76 80.31 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.562 ' HB ' ' CE1' ' A' ' 13' ' ' PHE . 68.8 p -110.96 143.9 40.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER 40.58 25.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -93.09 -40.69 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.22 -40.54 77.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -60.22 -33.26 72.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -59.42 -37.3 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.12 -44.12 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -87.0 22.54 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.4 mt -129.3 -31.52 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.41 129.06 38.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.45 -33.82 5.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 69.6 mmtt -51.38 139.2 27.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -21.81 32.87 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.73 2.286 . . . . 0.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.547 ' CZ3' HG13 ' A' ' 50' ' ' ILE . 26.7 p-90 -91.31 -15.22 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 37.7 t80 -74.26 97.56 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.87 -14.5 63.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.507 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.94 -158.17 46.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.14 42.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.727 0.298 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.6 p -73.87 -177.47 2.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' SER . 3.2 m-20 -106.02 139.92 39.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 32' ' ' ARG . 20.1 ttp-105 -37.22 -43.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -59.71 -45.07 93.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' ASP . 4.6 m -63.12 -44.03 96.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.457 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . . . -61.78 -47.85 83.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -65.94 -49.78 66.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -51.8 -58.95 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.47 -28.88 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD1' HG13 ' A' ' 65' ' ' VAL . 36.7 mt -81.1 -57.8 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.436 ' CE1' HG23 ' A' ' 72' ' ' VAL . 26.9 m-70 -52.62 -31.72 38.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -78.0 -27.59 49.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -67.89 -46.55 71.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 61.5 43.3 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 30.3 mttt -129.27 84.05 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.07 123.51 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.29 -21.32 10.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 m -56.75 160.21 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 26.6 p90 -160.22 160.64 32.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 35' ' ' ALA . 2.4 pp -162.92 129.68 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.547 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 9.5 mm -86.84 118.36 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -104.27 131.91 51.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -83.23 135.43 34.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 t -83.38 -179.35 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 m -174.96 171.35 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' HIS . . . 58.44 166.07 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 55' ' ' GLY . 2.0 t-160 -35.99 123.65 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -175.1 -178.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.5 m -76.74 -172.93 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -77.02 43.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -103.33 97.66 10.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.88 9.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -145.49 167.1 23.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.42 HG22 ' C ' ' A' ' 75' ' ' ILE . 69.7 m -142.74 121.75 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.192 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.6 tp -80.5 136.42 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 39' ' ' LEU . 17.2 t -124.3 100.11 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.6 120.25 29.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -90.1 116.77 28.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.05 -173.89 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -49.31 86.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' PHE . 26.3 mmmt 64.83 24.97 12.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -127.21 164.41 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.436 HG23 ' CE1' ' A' ' 40' ' ' HIS . 82.7 t -139.79 122.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -118.93 113.24 20.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -97.93 100.68 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.42 ' C ' HG22 ' A' ' 63' ' ' THR . 27.1 mt -100.24 124.18 44.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.04 20.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.79 77.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -54.79 171.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -136.37 111.98 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.47 103.6 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 82' ' ' ALA . 25.6 tt0 -64.63 -35.9 82.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.79 -37.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 p -134.11 2.68 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 62.63 40.5 10.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -111.05 -175.93 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.551 ' CE2' HG23 ' A' ' 101' ' ' VAL . 57.1 m-85 -134.76 144.62 47.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -132.63 167.68 19.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 88' ' ' LEU . 4.3 mm? -104.61 135.32 46.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.54 176.93 51.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -102.3 -13.23 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -164.83 139.0 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -172.1 151.11 2.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -91.98 104.14 16.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.91 56.53 2.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.52 151.97 22.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -92.95 136.72 33.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -96.0 158.16 15.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.512 ' CD2' HG12 ' A' ' 104' ' ' ILE . 90.1 m-85 -133.48 145.97 50.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.46 -37.18 92.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -154.19 173.8 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.551 HG23 ' CE2' ' A' ' 86' ' ' TYR . 90.2 t -64.03 -46.73 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.4 t -50.89 -40.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -59.29 -43.81 92.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.512 HG12 ' CD2' ' A' ' 98' ' ' PHE . 75.0 mt -51.89 -32.8 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.408 HG12 ' CE2' ' A' ' 48' ' ' PHE . 85.5 t -84.07 -41.68 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -64.74 -58.8 5.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -54.55 -26.9 34.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.435 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.8 OUTLIER -79.5 -40.12 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 108' ' ' HIS . 26.8 mt-30 -36.68 -42.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -99.77 -41.6 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -89.65 131.06 41.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 142.45 48.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.392 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 114' ' ' VAL . 46.1 tp -101.8 84.17 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.46 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 89.5 t -33.61 128.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.6 mt -118.54 84.18 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 4.8 mp -61.91 92.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -39.6 -52.74 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 119' ' ' GLN . 2.4 m -159.35 179.05 9.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 118' ' ' SER . 37.1 mt-30 -34.72 -45.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -38.78 151.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -62.57 -26.69 68.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.1 p -47.82 115.14 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.415 ' HB2' ' CG1' ' A' ' 114' ' ' VAL . 10.1 ptmt -133.45 99.67 4.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.61 121.03 32.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 14.9 p -108.4 145.97 33.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -147.16 138.59 24.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -89.86 131.33 35.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 26.7 mt -54.28 121.47 8.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -124.67 -35.34 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.57 ' CD2' ' HD3' ' A' ' 44' ' ' LYS . 2.1 m-85 -111.97 148.14 34.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.64 98.58 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 99.6 t -88.5 132.3 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -119.31 103.76 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 34' ' ' SER . 13.8 p -43.57 -35.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.3 t -64.64 -41.3 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.4 t -52.5 149.84 5.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.38 -105.11 2.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 121.35 8.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.9 t -61.62 113.91 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 141' ' ' GLY . 3.6 m -39.81 101.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 140' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -98.92 92.11 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -139.31 172.34 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.45 51.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -106.39 119.83 40.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -149.74 177.82 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.35 -82.8 1.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.26 54.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -40.3 -62.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -63.36 141.64 58.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -107.27 109.26 21.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.8 m -75.36 -59.54 2.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -45.01 -42.28 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.82 -45.33 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.09 -43.47 73.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -62.39 -43.12 99.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -49.15 -42.65 40.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.15 -42.58 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -93.48 26.7 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.2 mt -130.4 -32.16 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.86 127.08 29.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.91 -36.2 4.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.474 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -43.07 138.32 2.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -4.26 13.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -113.74 -24.75 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 32.9 t80 -66.7 98.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.15 -21.09 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.085 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.51 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 83.48 -124.91 6.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.27 39.55 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.4 162.32 27.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.43 165.34 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -61.36 -36.55 80.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.3 tttt -63.39 -61.91 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m -43.13 -40.4 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 49' ' ' LEU . . . -65.44 -41.34 93.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.25 -28.02 61.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.06 -58.81 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.67 -23.49 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.8 mt -86.79 -51.22 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.414 ' NE2' HG22 ' A' ' 72' ' ' VAL . 26.0 m-70 -61.27 -30.22 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.9 ptt85 -72.28 -36.46 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 t -57.34 -45.52 84.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 61.42 40.81 13.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.573 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 34.3 mtpt -132.33 82.22 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -36.65 121.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.03 -26.22 5.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 m -51.62 159.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 128' ' ' LEU . 24.4 p90 -161.16 151.41 17.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.441 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 3.9 pp -156.76 134.23 10.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 mm -91.76 126.56 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -115.22 127.61 55.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -67.81 140.49 56.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.9 t -110.1 169.82 8.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -117.61 174.72 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.92 -172.31 0.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.417 ' CG ' ' H ' ' A' ' 57' ' ' ASP . 22.0 p-80 -64.65 -60.3 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.831 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.417 ' H ' ' CG ' ' A' ' 56' ' ' HIS . 4.6 t70 43.34 52.5 5.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LYS . 39.8 m 61.24 54.99 3.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 7.1 mptt 37.13 37.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.16 95.46 6.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.703 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -38.73 7.46 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.33 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -131.19 168.16 17.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.6 m -142.75 128.65 19.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.45 ' CD2' ' CD2' ' A' ' 113' ' ' LEU . 8.4 tp -87.0 125.77 34.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.9 t -114.98 103.83 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.25 120.87 33.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -83.44 122.02 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -109.85 178.76 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -45.43 92.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' PHE . 34.1 mmtm 58.19 36.89 26.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 70' ' ' LYS . 20.9 mmt85 -145.5 169.7 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.414 HG22 ' NE2' ' A' ' 40' ' ' HIS . 90.7 t -147.06 122.26 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -116.83 112.54 21.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.08 99.92 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.4 mt -94.12 127.6 44.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 120.85 7.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.362 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.6 t -83.6 79.81 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 -59.44 155.88 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -129.8 123.64 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mp -101.77 118.81 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 82' ' ' ALA . 49.3 tt0 -71.37 -37.39 71.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.94 -40.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 38.5 p -132.07 6.4 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.32 39.21 28.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 97' ' ' TYR . 30.8 mt-30 -110.85 176.37 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.535 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 51.0 m-85 -119.58 152.26 37.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.18 169.18 18.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.31 133.29 55.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.7 174.75 26.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -98.01 -13.11 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 91' ' ' LYS . 12.0 tmtt? -155.43 130.42 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 93' ' ' ASN . 4.7 tppp? -164.37 148.65 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 92' ' ' LYS . 1.5 t30 -81.63 118.27 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.06 49.9 73.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.83 124.26 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.321 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.06 130.45 40.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.444 ' C ' ' OE1' ' A' ' 85' ' ' GLN . 94.0 m-85 -88.78 133.99 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -110.82 157.51 19.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.62 -39.45 67.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.451 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.535 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.5 m -155.88 177.15 11.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.485 HG22 ' CE2' ' A' ' 86' ' ' TYR . 86.2 t -60.96 -48.89 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -49.21 -51.01 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -50.64 -44.8 57.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.551 ' O ' ' CG ' ' A' ' 108' ' ' HIS . 87.4 mt -51.14 -43.38 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.0 t -76.57 -55.12 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.419 ' HA ' ' CD ' ' A' ' 109' ' ' GLN . 34.6 m-20 -47.76 -51.49 22.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -64.7 -50.65 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.551 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -51.16 -44.66 61.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 108' ' ' HIS . 58.8 mt-30 -33.86 -40.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -99.97 -45.74 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -86.29 132.68 42.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.44 47.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.45 ' CD2' ' CD2' ' A' ' 64' ' ' LEU . 21.2 tp -113.92 92.87 4.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 115' ' ' LEU . 7.6 p -36.58 139.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.464 ' N ' HG22 ' A' ' 114' ' ' VAL . 47.1 mt -126.68 131.4 51.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 41.3 mt -132.93 147.12 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -104.26 88.44 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.6 t 53.54 48.34 21.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 49.17 46.14 22.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -86.26 37.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 48.97 44.3 22.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.9 p -144.02 115.56 8.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -116.42 93.61 4.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.5 m-20 -109.13 92.52 4.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 85.6 p -80.17 159.04 26.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.8 t -171.04 140.22 1.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -89.83 140.13 29.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 30.2 mt -59.74 114.51 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -112.27 -44.03 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.573 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.9 m-85 -109.25 154.1 22.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -128.26 94.86 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.6 102.56 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -94.16 111.25 22.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.432 ' CG2' HD21 ' A' ' 49' ' ' LEU . 1.4 t -52.75 -175.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.428 ' H ' ' CG1' ' A' ' 134' ' ' VAL . 79.3 p -174.92 116.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.3 p -92.29 170.31 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -176.17 71.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 135.75 31.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.713 2.276 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.3 t -154.03 143.39 21.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.4 t 68.72 42.12 1.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m 50.28 41.64 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 110.901 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 4' ' ' GLY . 19.4 m -144.17 138.11 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.1 62.31 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -107.66 83.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.389 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -72.43 106.36 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.29 77.89 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 9' ' ' PHE . 53.8 Cg_endo -69.75 92.32 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' PRO . 84.7 m-85 34.44 42.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -127.01 89.94 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.9 p -99.23 52.46 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.8 p -70.18 -56.35 7.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.194 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' ALA . 8.9 m-85 -74.15 -48.93 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -34.8 -48.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.0 -47.64 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' PHE . 16.7 mm100 -56.42 -37.5 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -55.12 -40.14 70.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.35 -32.68 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -98.12 24.9 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.6 mt -129.0 -30.59 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.0 mt -65.64 128.18 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.54 -33.35 6.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -45.16 138.65 4.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.25 15.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 25.9 p-90 -113.05 -25.2 9.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 23.5 t80 -66.32 95.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.51 -16.3 63.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.481 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.35 -149.26 35.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.76 46.8 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.312 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.5 t -83.4 163.39 20.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.02 141.22 58.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -50.42 -54.41 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -45.11 -57.13 4.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -50.61 -49.83 55.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.37 -46.55 56.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -69.34 -39.54 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -61.96 -59.58 4.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.19 -25.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 47' ' ' SER . 19.1 mt -88.31 -46.56 9.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -61.61 -29.01 69.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -71.83 -41.22 68.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -53.67 -52.41 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 68.75 42.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 37.9 mtpt -131.33 85.73 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.62 113.64 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.69 -24.7 3.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.464 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 4.4 m -51.66 154.3 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 20.7 p90 -153.6 156.93 38.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.427 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 3.3 pp -166.43 126.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.0 mm -86.94 124.97 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -114.15 121.59 44.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 53' ' ' SER . 15.6 tttm -43.56 152.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' LYS . 7.9 p -34.64 140.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -51.33 -43.99 61.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.3 -36.07 0.65 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.531 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -113.62 86.68 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 2.1 p30 -175.09 159.67 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.0 m -130.59 -44.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -73.42 -27.27 61.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -106.12 88.08 2.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.701 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -35.86 11.94 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -133.44 172.91 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.1 m -145.58 145.72 31.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.5 tp -100.25 145.54 27.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.574 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 59.4 t -131.21 97.88 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.28 122.3 36.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -93.16 115.99 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.49 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -103.6 -171.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -47.35 95.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm 52.52 49.57 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.49 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 9.6 ptp180 -169.28 168.79 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.574 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 64.0 t -144.28 143.62 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -120.05 125.47 48.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -102.25 101.19 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.7 mt -104.1 122.94 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.698 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.695 2.264 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.5 t -83.88 80.26 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -58.78 170.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 7.6 t80 -145.71 118.78 8.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.8 mp -90.18 128.76 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' ALA . 30.6 tt0 -78.12 -48.32 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -35.53 -37.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.4 p -125.09 -2.64 7.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 8.2 mmmm 55.63 41.89 30.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -114.19 169.38 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.455 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 59.0 m-85 -108.16 153.73 22.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.09 167.24 22.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.42 135.18 50.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.28 -176.41 30.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -101.04 -13.38 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -160.91 137.89 8.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -167.37 117.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -54.0 118.95 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 54.64 62.09 6.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.83 141.6 28.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -84.91 133.12 34.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.06 145.31 24.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.432 ' CD1' HG12 ' A' ' 104' ' ' ILE . 7.1 m-85 -120.2 163.86 17.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.05 -38.92 21.44 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.455 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.5 m -148.35 175.98 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.7 t -65.82 -45.37 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.067 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.5 t -51.55 -44.75 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -57.49 -43.81 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.547 ' O ' ' CG ' ' A' ' 108' ' ' HIS . 93.9 mt -54.38 -38.83 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.502 HG13 ' CE2' ' A' ' 48' ' ' PHE . 90.7 t -78.34 -54.63 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -49.99 -48.71 52.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -66.8 -42.9 85.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -60.3 -39.54 87.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -37.92 -42.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.495 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 10.5 m-70 -97.59 -51.76 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 108' ' ' HIS . 37.4 m-80 -80.69 134.49 53.86 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.64 0.733 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 144.04 52.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 43.8 tp -111.01 84.82 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.466 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 9.7 p -43.73 131.05 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.2 mt -115.7 90.94 3.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 66.6 mt -93.07 86.14 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 118' ' ' SER . 22.2 t0 -89.11 113.03 24.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' ASP . 13.7 p -34.35 -36.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 117' ' ' ASP . 17.6 mm-40 -52.79 99.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 121' ' ' ASN . 46.1 m-20 61.67 30.67 18.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 2.1 p-10 36.02 49.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.5 p -82.83 99.68 9.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -99.8 109.13 21.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 1.3 m-20 -139.33 126.39 21.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 28.4 p -109.78 143.1 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.2 t -151.48 154.4 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 110' ' ' HIS . 10.9 mtm-85 -103.01 116.45 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 48.2 mt -41.69 111.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -112.59 -40.37 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.6 m-85 -110.05 145.34 37.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -122.51 95.08 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 93.0 t -98.33 116.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -104.54 131.34 52.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 6.0 p -84.47 163.98 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 8.4 t -164.25 111.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.5 t -148.45 129.99 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.47 172.83 54.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 130.78 19.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.2 t -125.16 101.1 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.7 t -104.84 129.31 53.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 m 54.61 42.03 31.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -56.69 134.1 54.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.33 -112.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 6' ' ' SER . 21.1 t -75.0 -44.24 49.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.833 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 5' ' ' SER . 53.1 m -37.42 116.67 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.23 169.7 32.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 146.37 60.14 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.62 -51.87 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -111.82 159.57 18.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.8 m -88.86 109.0 19.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.0 m -124.25 -61.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.178 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 61' ' ' PRO . 9.6 m-85 -61.03 -48.38 82.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.06 -43.31 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.32 -50.71 71.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -57.13 -38.08 72.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -51.41 -41.76 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.74 -35.71 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.43 25.8 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.507 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 39.3 mt -129.52 -31.68 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.5 mt -64.06 129.7 41.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.42 -34.56 5.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.521 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HB2' ' CB ' ' A' ' 26' ' ' TYR . 36.4 mmtt -48.79 140.9 10.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -19.35 36.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.544 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 29.0 p-90 -99.82 -24.85 14.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CD2' ' O ' ' A' ' 20' ' ' LEU . 28.3 t80 -70.07 94.64 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.22 -20.28 64.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.459 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 76.37 -149.27 36.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.51 47.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.4 m -90.38 159.42 16.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.02 158.28 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 21.0 ttm105 -66.1 -42.53 89.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -48.47 -58.35 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 m -57.07 -32.02 65.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -45.13 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -73.88 -39.04 64.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.29 -55.37 14.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.49 -25.24 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.1 mt -85.52 -48.87 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -61.49 -30.33 70.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.3 ptm180 -71.78 -33.81 68.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 14.4 t -60.78 -46.92 88.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 t30 64.81 37.52 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.559 ' HE3' ' CE2' ' A' ' 130' ' ' TYR . 12.1 mmmt -123.76 83.74 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.59 115.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.14 -19.76 6.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 m -53.37 152.65 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 26.9 p90 -149.21 151.29 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.458 ' C ' ' CD1' ' A' ' 49' ' ' LEU . 1.5 pp -158.7 130.47 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.402 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 6.4 mm -87.92 135.43 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 1.2 ptm85 -128.98 122.78 30.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -64.05 139.56 58.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -49.47 126.57 13.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 m -56.61 -40.47 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -105.37 126.37 8.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -42.97 102.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -138.07 130.34 28.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 t -78.41 -38.37 41.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -58.63 -44.29 89.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -119.82 88.72 40.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.484 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.72 -42.96 2.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.482 ' CD2' HG21 ' A' ' 101' ' ' VAL . 44.7 m-85 -140.61 168.49 19.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.4 m -143.33 122.76 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 113' ' ' LEU . 25.5 tp -81.89 141.49 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 24.5 t -125.14 97.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.56 119.33 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -88.91 116.52 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.21 -176.03 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.468 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 34.8 p-10 -48.15 87.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 68' ' ' PHE . 30.5 mmtp 64.24 32.58 12.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -142.59 163.94 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 59.0 t -137.67 122.65 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.594 ' CE2' ' OD2' ' A' ' 117' ' ' ASP . 4.8 m-85 -110.16 118.18 35.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -96.71 104.48 16.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.428 ' CD1' HD22 ' A' ' 113' ' ' LEU . 42.3 mt -103.97 120.88 49.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 118.67 5.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.9 t -89.03 83.71 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 mtt85 -65.75 163.92 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 31.9 t80 -131.03 130.63 43.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.9 126.24 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' ALA . 34.8 tt0 -73.91 -41.6 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.37 -53.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 p -117.71 8.54 12.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 26.7 mmtm 50.75 42.32 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -111.82 -178.15 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.503 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 33.6 m-85 -122.97 151.83 41.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -143.57 172.26 13.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -109.48 163.01 13.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 44.82 -161.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -81.01 172.82 13.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -58.66 131.14 49.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -135.86 154.78 51.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -64.36 -47.82 77.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -104.27 57.83 0.52 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -102.89 143.73 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.23 137.48 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -95.19 163.78 13.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.551 ' CD2' HG12 ' A' ' 104' ' ' ILE . 78.4 m-85 -142.84 120.08 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.58 -44.29 0.43 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.503 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.6 m -154.49 179.94 8.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 62' ' ' TYR . 89.9 t -61.57 -52.18 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.181 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.452 HG13 ' ND2' ' A' ' 106' ' ' ASN . 84.4 t -49.04 -40.24 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -59.97 -43.52 95.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.551 HG12 ' CD2' ' A' ' 98' ' ' PHE . 68.4 mt -51.77 -33.97 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.3 t -86.25 -50.33 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.452 ' ND2' HG13 ' A' ' 102' ' ' VAL . 25.9 m-20 -50.65 -51.96 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.72 -45.2 83.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 1.6 m-70 -54.06 -38.89 65.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' HIS . 55.6 mt-30 -34.32 -36.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 108' ' ' HIS . 21.4 m170 -97.58 -53.6 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -81.81 128.33 69.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 139.17 39.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.351 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.462 ' CD1' HD23 ' A' ' 64' ' ' LEU . 2.1 tt -86.01 89.86 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.454 ' CG2' ' HD2' ' A' ' 123' ' ' LYS . 5.4 p -51.99 116.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.3 mt -99.35 110.21 22.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 96.8 mt -106.21 108.91 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 73' ' ' TYR . 25.9 m-20 -115.91 94.9 4.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 117' ' ' ASP . 4.0 m -33.88 -57.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 120' ' ' ASN . 29.6 pt20 -39.64 -47.9 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.401 ' N ' ' HG3' ' A' ' 119' ' ' GLN . 55.6 m-80 -78.37 -47.7 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 73.53 43.57 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.3 p -139.78 109.8 6.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -63.51 96.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.52 177.9 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.2 p -170.31 151.78 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.2 t -164.83 142.41 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 -94.38 138.02 32.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 32.4 mt -60.84 106.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -112.38 -43.82 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.559 ' CE2' ' HE3' ' A' ' 44' ' ' LYS . 1.9 m-85 -103.75 148.02 26.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.88 100.55 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 133' ' ' LYS . 85.6 t -88.05 147.04 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.456 ' N ' HG12 ' A' ' 132' ' ' VAL . 15.2 ttmm -121.45 144.68 48.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.99 146.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.1 t -175.69 163.27 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 96.2 p -89.54 131.93 35.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -122.67 161.63 16.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.68 13.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 74.7 m -122.76 -56.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.3 t -95.43 143.36 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.528 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -54.16 176.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -128.52 40.84 3.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.75 139.9 0.13 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t -96.98 111.01 23.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -128.95 115.56 18.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' CD2' ' A' ' 9' ' ' PHE . . . 123.17 75.38 0.31 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 103.39 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.725 2.283 . . . . 0.0 112.322 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CD2' ' O ' ' A' ' 7' ' ' GLY . 11.9 m-85 -123.91 117.0 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' SER . 31.4 t30 39.69 40.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' ASN . 46.0 m 34.57 43.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 13' ' ' PHE . 42.5 p -52.59 -178.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 61' ' ' PRO . 6.6 m-85 -36.42 -36.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -36.38 -50.58 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.5 -47.71 75.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -57.57 -42.65 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -42.96 -42.17 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.37 -41.24 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -84.19 16.6 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.0 mt -127.22 -32.52 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.57 136.48 58.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 -32.62 6.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -51.58 139.1 29.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -11.25 30.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.584 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 33.7 p-90 -106.79 -27.26 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.463 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 30.0 t80 -68.03 98.94 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.4 -16.16 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.463 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 83.68 -115.95 4.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.14 45.07 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.727 0.299 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.0 m -83.3 151.58 25.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -76.11 133.23 40.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -40.39 -40.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -51.67 -61.83 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -55.97 -35.12 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.91 99.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -70.7 -34.02 71.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -68.87 -58.87 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.72 -24.94 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 65' ' ' VAL . 20.1 mt -84.63 -47.32 10.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.462 ' CD2' HG22 ' A' ' 72' ' ' VAL . 19.9 m-70 -60.96 -29.87 69.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 42' ' ' SER . 4.7 ptm180 -74.83 -33.98 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 41.4 t -59.32 -49.73 76.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 65.29 45.21 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 37.4 mttp -133.54 83.05 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.11 114.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 130.7 -20.74 4.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 m -56.34 150.51 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CE2' ' CB ' ' A' ' 25' ' ' TRP . 27.7 p90 -151.49 151.88 32.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.473 HD21 ' CG2' ' A' ' 134' ' ' VAL . 1.9 pp -157.44 127.08 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.403 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 20.7 mm -85.17 126.92 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -118.41 124.67 48.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -61.42 141.06 57.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.8 t -71.52 119.17 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 p -90.03 81.02 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.48 -174.32 36.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.523 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -102.7 41.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -115.62 164.2 14.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m -121.48 -35.98 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.824 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -49.82 -40.02 40.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -113.49 87.24 11.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.459 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.75 -47.65 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.238 . . . . 0.0 112.371 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -130.05 -179.03 4.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.4 m -149.99 135.02 17.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.7 tp -91.03 147.84 22.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.593 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 43.7 t -133.65 97.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.77 118.11 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -88.03 117.55 26.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.481 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 1.1 t80 -109.85 -177.88 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' PHE . 3.8 t-20 -34.54 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm 42.14 52.31 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 11.1 ptm180 -164.85 170.63 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.593 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 34.8 t -140.86 134.21 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.41 121.97 46.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.41 92.08 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.9 mt -94.59 117.37 66.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 111.126 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 121.02 7.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.5 t -88.53 103.92 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 78' ' ' ARG . 9.9 mtm105 -84.22 158.84 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -126.67 100.57 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -76.12 88.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -46.86 -43.52 18.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.7 -39.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.3 p -118.05 4.78 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 50.8 40.78 25.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.421 ' CD ' ' HB3' ' A' ' 97' ' ' TYR . 23.9 mt-30 -124.13 176.09 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.416 ' CD2' HG22 ' A' ' 101' ' ' VAL . 85.3 m-85 -113.9 155.34 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -135.8 169.62 17.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.83 137.51 52.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.5 160.1 3.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -90.0 40.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -161.29 114.62 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -62.95 -73.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 39.16 55.09 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.47 47.34 7.43 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.507 ' OE2' ' CD1' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -90.26 162.7 15.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' A' ' 95' ' ' GLU . 9.9 tm-20 -99.97 143.78 29.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.507 ' CD1' ' OE2' ' A' ' 95' ' ' GLU . 35.4 m-85 -100.11 108.45 20.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.513 ' CD1' HG12 ' A' ' 104' ' ' ILE . 43.9 m-85 -93.42 113.85 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.14 -43.67 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 m -143.77 174.61 10.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.416 HG22 ' CD2' ' A' ' 86' ' ' TYR . 94.5 t -62.11 -48.86 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.0 t -49.54 -44.64 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -54.24 -41.17 68.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.513 HG12 ' CD1' ' A' ' 98' ' ' PHE . 76.3 mt -52.85 -47.89 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.557 HG11 ' CE2' ' A' ' 48' ' ' PHE . 99.5 t -69.32 -45.89 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 109' ' ' GLN . 26.6 m-20 -56.42 -69.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -39.94 -33.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.481 ' CD2' HD13 ' A' ' 113' ' ' LEU . 3.4 m-70 -73.04 -39.03 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 106' ' ' ASN . 96.4 mt-30 -36.07 -35.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -101.11 -57.63 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' HIS . 64.6 m-20 -76.01 141.25 71.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.401 ' HA ' ' CG ' ' A' ' 127' ' ' ARG . 53.9 Cg_endo -69.74 139.73 41.01 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.381 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' ' 108' ' ' HIS . 2.4 tt -88.28 101.42 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.402 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 9.6 p -60.85 134.4 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.0 mt -131.0 125.15 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.41 109.35 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.29 108.93 11.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.2 p -43.5 -46.05 6.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -63.07 -47.25 83.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -114.65 109.9 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -65.63 79.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.7 p -134.63 125.83 27.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -88.22 82.82 7.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -103.46 109.57 21.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 89.5 p -104.95 142.92 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.9 t -150.17 134.88 17.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.401 ' CG ' ' HA ' ' A' ' 112' ' ' PRO . 41.5 mtt180 -79.08 143.16 35.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 83.9 mt -70.83 103.87 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -107.05 -44.16 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.448 ' CD2' ' HD3' ' A' ' 44' ' ' LYS . 3.3 m-85 -101.0 150.42 22.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -133.58 105.24 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 90.6 t -94.2 116.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -99.84 97.7 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.473 ' CG2' HD21 ' A' ' 49' ' ' LEU . 1.5 t -45.19 -51.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 88.5 p -50.33 94.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.5 t -72.96 148.74 43.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 138.74 -147.77 19.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 169.54 18.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.6 t -170.22 157.68 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 70.5 m -68.2 -50.1 56.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t 50.51 42.07 26.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t 65.43 43.14 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.81 140.62 16.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -128.21 174.18 9.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 t -127.67 -45.43 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.0 93.69 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 172.08 13.28 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -78.43 156.1 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -43.67 106.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.2 m -117.93 159.71 22.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m -38.44 -59.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' ALA . 4.3 m-85 -55.86 -50.36 70.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -34.91 -51.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -56.77 15.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -45.98 -47.12 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 56.8 tt0 -47.76 -38.4 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.79 -39.34 62.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.25 28.8 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 17' ' ' GLU . 19.0 mt -129.65 -31.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.64 126.15 26.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.94 -31.98 6.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 34.0 mmtt -54.9 139.09 63.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.04 31.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.468 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 27.9 p-90 -88.57 -23.72 23.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.513 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 36.9 t80 -69.35 96.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.42 -17.61 64.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.513 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 73.28 -142.51 31.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.25 43.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 111.055 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 t -82.35 160.2 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -59.75 136.38 57.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 56.9 ttp85 -53.43 -39.22 64.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -62.44 -42.67 99.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.25 -40.9 91.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.72 -50.74 59.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -67.1 -39.54 86.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -60.6 -61.79 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -44.03 -26.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.1 mt -87.23 -51.37 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.526 ' CD2' HG23 ' A' ' 72' ' ' VAL . 17.2 m-70 -54.37 -29.11 47.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -77.33 -33.97 55.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -60.93 -49.76 76.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 64.29 45.1 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HD2' ' CE1' ' A' ' 130' ' ' TYR . 21.2 mtmm -134.65 85.04 2.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.36 125.52 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.21 -23.33 8.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 m -55.41 158.83 3.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.831 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 34.5 p90 -159.48 156.97 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.8 pp -161.6 134.63 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.424 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 16.0 mm -92.04 124.87 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 19.5 ptt180 -116.38 133.83 55.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -70.89 141.16 51.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 t -51.24 169.45 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 t -71.44 -50.61 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 56' ' ' HIS . . . -110.46 39.87 2.75 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.461 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 20.6 t-160 34.51 42.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.825 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -53.39 156.8 2.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -80.5 -46.7 15.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -60.87 -37.03 80.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -128.35 87.15 55.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -38.14 8.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -144.1 175.34 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.7 m -145.39 129.51 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.6 tp -81.92 146.39 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.602 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 64.2 t -132.46 96.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.89 121.72 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -91.76 116.23 28.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 124' ' ' ASP . 0.6 OUTLIER -103.58 -173.74 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -44.59 99.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm 47.78 51.52 14.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 16.1 ptt180 -169.75 162.78 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.602 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 21.4 t -136.33 135.81 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -116.01 122.45 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.79 97.68 9.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.9 mt -96.66 131.08 28.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.657 0.741 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 133.16 24.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.4 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.7 t -104.97 79.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.07 140.76 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.44 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 16.6 t80 -99.55 112.87 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 97' ' ' TYR . 9.1 mm -73.94 80.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -55.47 -40.19 71.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.23 -48.24 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.5 p -119.36 14.68 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER 53.3 41.64 32.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.429 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 75.2 mt-30 -113.2 -174.83 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.567 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 13.7 m-85 -140.91 136.79 32.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.409 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . . . -137.24 165.27 26.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.613 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -107.1 162.43 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.52 -117.42 9.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.5 mtmm -109.53 -177.54 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -93.18 133.55 36.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 93' ' ' ASN . 8.6 tptm -170.79 159.45 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' N ' ' HG3' ' A' ' 92' ' ' LYS . 87.6 m-20 -62.77 -63.88 1.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.11 -40.68 36.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -39.98 150.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -87.89 126.24 34.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CE2' HG13 ' A' ' 80' ' ' ILE . 3.7 m-85 -115.93 151.32 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CD1' HG12 ' A' ' 104' ' ' ILE . 12.3 m-85 -131.38 171.96 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.72 -29.53 35.11 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 2.2 m -156.82 172.22 19.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.454 ' HA ' ' CD1' ' A' ' 104' ' ' ILE . 94.4 t -57.96 -53.28 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.9 t -48.71 -43.77 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.99 -42.51 76.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.523 HG12 ' CD1' ' A' ' 98' ' ' PHE . 44.8 mt -49.92 -45.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 48' ' ' PHE . 98.5 t -72.6 -45.29 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 109' ' ' GLN . 24.4 m-20 -63.8 -67.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -41.98 -28.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-70 -81.18 -36.26 30.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 106' ' ' ASN . 95.7 mt-30 -34.88 -36.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 108' ' ' HIS . 12.1 m-70 -100.69 -53.14 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 108' ' ' HIS . 30.2 m-20 -79.82 138.44 53.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.466 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 53.4 Cg_endo -69.76 140.28 42.29 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.401 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.418 ' C ' HD22 ' A' ' 113' ' ' LEU . 2.4 tt -85.38 98.0 10.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.6 p -56.75 130.35 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 44.6 mt -123.17 116.67 23.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 24.0 mt -123.67 82.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -46.17 -62.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -132.84 173.2 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -79.71 46.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -109.73 36.2 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 22.3 m120 55.46 43.16 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.7 p -114.44 103.01 10.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -120.9 95.44 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.6 m-20 -108.53 84.3 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.3 p -84.51 134.44 34.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 t -146.58 128.53 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.149 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 23.3 mtt180 -75.94 143.94 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 41.8 mt -71.71 120.93 17.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -122.82 -42.83 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.414 ' CE1' ' HD2' ' A' ' 44' ' ' LYS . 27.7 m-85 -101.74 149.4 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.3 98.02 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 86.7 t -83.36 139.44 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.93 99.65 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.1 p -58.75 163.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 95.1 p -161.34 127.49 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.1 t -51.49 132.65 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -127.87 91.12 0.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.36 35.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.7 t -100.35 86.4 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 87.5 p -118.06 115.69 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -163.1 154.69 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -93.22 113.92 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.21 -153.0 47.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 m -100.49 114.67 28.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m -75.31 173.51 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.44 85.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -3.0 11.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 9' ' ' PHE . 7.6 p90 -102.69 176.34 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 11' ' ' SER . 79.1 m-20 -120.9 92.85 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 10' ' ' ASN . 74.7 m 34.34 43.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.2 m -80.26 -45.69 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -95.75 -42.34 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.47 -48.46 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.6 -47.98 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -60.32 -34.42 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -56.5 -42.63 78.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.19 -40.8 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -81.65 12.81 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.8 mt -125.39 -27.73 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.99 124.84 21.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.72 -36.14 4.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -41.95 136.41 2.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -7.13 20.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 15.3 p-90 -110.14 -29.99 7.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 28.5 t80 -59.44 94.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -21.21 66.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.518 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 78.2 -152.0 37.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.18 44.5 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.9 p -70.07 179.77 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 32' ' ' ARG . 4.8 m-20 -101.01 131.63 46.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ASP . 61.1 ttp85 -34.9 -42.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -61.55 -62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.1 m -45.71 -47.64 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.96 -41.93 59.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.155 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -72.21 -40.75 67.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.83 -61.64 2.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.42 -23.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 67' ' ' PHE . 17.2 mt -87.69 -45.9 9.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.449 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 27.6 m-70 -64.41 -31.17 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -71.61 -34.65 70.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 t -64.34 -50.82 66.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 t30 64.6 49.05 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.568 ' HD2' ' CD2' ' A' ' 130' ' ' TYR . 20.9 mttt -134.07 93.21 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.46 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 4.6 t0 -51.5 99.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.62 -13.73 2.0 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.3 m -67.69 157.64 34.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.814 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 128' ' ' LEU . 35.3 p90 -153.25 148.19 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 49' ' ' LEU . 3.5 pp -152.59 133.25 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 62' ' ' TYR . 23.1 mm -93.02 128.31 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' NH1' ' HG3' ' A' ' 32' ' ' ARG . 19.5 ptt180 -114.65 116.8 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.15 135.07 51.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.7 m -70.0 -174.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -112.7 178.48 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . -51.62 -103.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -43.9 102.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 55' ' ' GLY . 11.7 p-10 -174.98 -176.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 60' ' ' GLN . 90.0 p -79.16 -172.1 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -75.58 43.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' A' ' 58' ' ' SER . 2.9 tt0 -106.38 99.02 21.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -38.77 7.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.459 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 24.4 m-85 -148.86 174.81 11.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.8 m -145.35 117.31 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 tp -81.79 133.3 35.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.3 101.2 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.56 112.96 24.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.463 ' HB2' ' CD2' ' A' ' 39' ' ' LEU . 82.6 t80 -80.18 132.27 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.1 t80 -120.0 168.93 10.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.46 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 25.7 t30 -38.11 92.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' PHE . 19.6 mmtp 59.74 46.33 11.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.436 ' O ' ' CD1' ' A' ' 67' ' ' PHE . 49.9 mtp85 -156.85 161.14 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 40' ' ' HIS . 60.6 t -138.1 120.47 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -114.79 105.27 12.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -93.82 95.95 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.447 HD11 ' CD2' ' A' ' 115' ' ' LEU . 13.3 mt -87.75 124.32 67.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 121.11 7.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -89.44 75.36 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -58.46 145.89 37.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -113.13 111.77 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' LYS . 3.7 mp -86.67 118.94 33.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 83' ' ' THR . 10.8 tm-20 -72.65 -53.39 11.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -32.35 -35.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 81' ' ' GLU . 18.5 p -127.43 0.3 6.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' ILE . 21.8 mmmt 51.15 37.81 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -111.07 179.18 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 51.7 m-85 -122.62 132.4 54.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.45 153.56 40.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.17 134.24 34.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.06 176.21 22.62 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -175.07 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -49.7 129.57 19.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -140.58 138.87 34.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.83 106.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 55.81 70.31 1.0 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -96.91 -179.46 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -84.64 133.97 34.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -115.42 141.38 48.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 104' ' ' ILE . 10.0 m-85 -126.54 116.84 21.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -37.34 -37.58 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.545 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 3.2 m -149.24 170.21 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.953 0.406 . . . . 0.0 110.805 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.32 -56.25 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.8 t -40.76 -47.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.65 -46.12 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.557 ' HA ' ' CD2' ' A' ' 98' ' ' PHE . 66.4 mt -48.74 -41.6 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.53 -41.29 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 109' ' ' GLN . 43.1 m-20 -64.3 -67.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -40.58 -32.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 104' ' ' ILE . 5.2 m-70 -72.38 -39.27 68.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 106' ' ' ASN . 97.3 mt-30 -35.25 -34.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' HIS . 55.2 m-70 -100.33 -58.11 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -80.33 140.49 52.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 138.18 37.35 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.744 2.296 . . . . 0.0 112.321 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 tt -78.16 91.19 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.461 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.6 p -57.49 119.72 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' A' ' 75' ' ' ILE . 22.7 mt -107.47 119.93 40.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 52.0 mm -114.46 81.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 118' ' ' SER . 15.8 t0 -74.14 100.4 3.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' ASP . 12.3 t -34.25 -51.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 118' ' ' SER . 10.5 mm-40 -34.75 -49.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -132.02 137.39 47.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -76.55 48.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.1 p -107.34 103.11 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.78 99.53 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -114.5 98.76 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 55.3 p -96.06 133.01 40.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.2 t -140.05 133.1 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 -78.64 144.29 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 93.0 mt -69.58 107.03 3.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -113.97 -39.16 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.568 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 2.2 m-85 -106.36 149.33 27.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -128.64 97.44 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.7 t -100.73 105.03 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -98.5 131.54 44.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 4.1 p -81.23 159.02 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.4 t -161.96 136.11 6.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.5 t -54.8 153.13 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -178.95 -148.36 7.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.54 5.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.256 . . . . 0.0 112.391 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.2 p -145.89 145.12 30.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.6 m -125.11 163.04 23.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -73.32 142.03 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -51.43 -45.66 62.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 68.98 55.94 9.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.0 m -36.37 121.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -112.67 137.2 51.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.27 63.51 2.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.79 3.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 10' ' ' ASN . 37.1 p90 -64.22 -38.95 92.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.442 ' HB2' ' CE2' ' A' ' 9' ' ' PHE . 4.5 m120 -131.73 97.0 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.2 p -174.6 179.62 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.566 HG21 ' CE1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -62.37 151.6 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' HG21 ' A' ' 12' ' ' THR . 0.3 OUTLIER 49.08 25.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.22 -39.58 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.76 -39.73 64.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -60.78 -44.85 96.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -42.8 -33.91 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.89 84.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -83.05 13.03 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 mt -121.17 -32.11 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.92 133.62 54.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.04 -32.96 6.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -50.04 139.95 17.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -21.56 33.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -92.18 -28.95 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 20.3 t80 -62.9 91.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.72 -22.68 66.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.07 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.475 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 79.83 -154.5 37.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.54 74.93 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -112.63 169.49 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.2 t0 -69.6 150.82 46.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 54.8 ttt-85 -60.99 -38.76 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -64.93 -51.69 60.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -49.05 -52.54 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.78 -52.26 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.58 -49.55 77.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -54.68 -56.33 20.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.07 -26.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' CD1' HG11 ' A' ' 65' ' ' VAL . 24.8 mt -88.49 -51.84 5.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CD2' HG21 ' A' ' 72' ' ' VAL . 19.5 m-70 -55.7 -28.38 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -74.44 -39.84 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -58.42 -50.66 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 t30 65.65 44.47 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' ASP . 28.4 mtmm -133.85 83.84 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -36.74 126.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.38 -27.82 6.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 m -52.61 152.65 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.548 ' CE2' HG13 ' A' ' 105' ' ' VAL . 35.2 p90 -150.26 158.61 44.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' C ' ' CD1' ' A' ' 49' ' ' LEU . 1.6 pp -160.81 133.99 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.1 mm -95.29 122.1 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -112.85 129.82 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -65.97 142.09 57.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 m -75.06 106.0 6.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.6 m -82.91 100.79 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.93 -148.79 13.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.506 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 6.7 p80 -121.35 84.49 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -164.73 147.57 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -110.78 -39.33 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.24 -35.6 7.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -115.25 85.04 12.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.29 4.32 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -141.7 171.89 13.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.1 m -141.29 119.52 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' A' ' 113' ' ' LEU . 27.7 tp -76.76 141.65 40.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.452 HG11 ' CD1' ' A' ' 39' ' ' LEU . 21.9 t -130.02 98.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.64 124.79 34.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -90.72 114.97 27.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.29 -176.01 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.416 ' O ' ' OD1' ' A' ' 69' ' ' ASN . 16.4 p30 -49.39 87.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 68' ' ' PHE . 23.9 mmmt 62.33 39.46 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.6 mtp85 -149.37 160.21 43.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 40' ' ' HIS . 52.1 t -132.65 121.56 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -113.0 116.52 30.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -98.96 100.56 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 23.7 mt -96.55 126.8 42.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.84 12.62 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 104' ' ' ILE . 97.4 t -94.13 76.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -59.37 146.23 40.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 2.1 t80 -116.12 121.79 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -75.71 144.23 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -102.81 -52.11 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.1 -35.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.2 p -130.47 19.94 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 38.82 48.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.606 ' NE2' ' CG ' ' A' ' 97' ' ' TYR . 24.8 mt-30 -109.29 -174.81 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 72.0 m-85 -127.5 161.95 27.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.61 -175.54 5.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' A' ' 98' ' ' PHE . 2.5 mp -129.79 173.22 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . 49.2 179.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -95.77 -20.8 18.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -104.65 80.59 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -79.32 13.59 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' LYS . 2.6 t-20 -35.3 93.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . 55.75 54.4 35.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -101.15 176.87 5.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -84.51 125.45 32.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.606 ' CG ' ' NE2' ' A' ' 85' ' ' GLN . 56.4 m-85 -88.79 154.57 20.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD1' HG12 ' A' ' 104' ' ' ILE . 12.7 m-85 -131.21 112.23 12.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -38.43 -34.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.541 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 3.1 m -148.62 177.4 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.896 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.406 HG23 ' CE2' ' A' ' 86' ' ' TYR . 88.8 t -67.48 -45.45 85.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.192 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.6 t -50.26 -46.29 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -53.14 -39.7 63.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.568 HG12 ' CD1' ' A' ' 98' ' ' PHE . 83.0 mt -54.13 -41.85 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.548 HG13 ' CE2' ' A' ' 48' ' ' PHE . 85.1 t -80.67 -49.09 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -52.72 -51.75 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.12 -44.14 89.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.4 OUTLIER -57.78 -41.62 82.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' HIS . 22.8 mt-30 -34.43 -45.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -93.49 -58.68 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -72.0 133.24 84.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.14 49.95 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.406 ' CD2' HD21 ' A' ' 64' ' ' LEU . 45.3 tp -107.4 86.22 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.423 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 6.0 p -39.06 141.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.8 mt -126.03 122.15 35.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 22.0 mt -130.43 97.96 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.83 40.27 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.5 m -144.17 -177.98 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -86.31 -31.93 21.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 121' ' ' ASN . 3.5 t30 -84.97 37.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 120' ' ' ASN . 2.9 m120 34.45 40.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.6 p -45.95 107.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -93.47 82.86 4.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 26.6 m-20 -108.22 89.6 3.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.2 p -93.03 134.86 34.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.7 t -144.96 146.16 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -93.19 141.36 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.498 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 61.9 mt -64.97 117.97 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -118.2 -42.04 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.471 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 12.1 m-85 -108.62 155.54 20.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.11 99.02 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.3 t -90.9 139.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -114.8 118.65 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.0 p -79.34 140.62 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 m -151.0 -178.09 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.0 t -127.35 102.12 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -136.35 -74.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 140' ' ' SER . 53.8 Cg_endo -69.78 2.65 3.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.317 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 27.4 m -46.43 90.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 138' ' ' PRO . 50.6 m 61.12 41.13 14.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -136.9 147.07 46.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -113.18 150.15 32.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.14 76.74 0.59 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 m -111.35 83.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -97.09 124.68 41.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.1 -116.66 1.29 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 0.81 5.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.355 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -62.08 163.29 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 65.09 42.17 4.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -104.52 108.51 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.9 m -104.7 -55.9 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.086 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -91.11 -46.5 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.92 -49.06 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -55.61 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -44.3 -43.23 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -48.68 -39.7 25.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.12 -42.52 63.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -92.3 20.85 5.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.9 mt -125.5 -30.85 3.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.46 126.93 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.57 -32.9 6.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -48.27 141.99 8.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.59 31.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -94.62 -27.51 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 34.1 t80 -65.35 95.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.34 -17.2 63.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 78.2 -151.45 36.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.22 46.21 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 p -70.03 -178.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' ARG . 1.9 m-20 -101.04 136.57 40.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' ASP . 65.6 ttt180 -36.34 -45.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -64.99 -62.76 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -49.21 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.19 -52.51 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.44 -43.3 96.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.59 -47.57 85.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.89 -28.55 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 65' ' ' VAL . 30.6 mt -82.71 -56.24 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.497 ' CE1' HG21 ' A' ' 72' ' ' VAL . 39.7 m-70 -56.83 -33.32 66.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -70.95 -35.29 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -61.32 -49.14 78.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 66.06 42.39 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -129.55 83.72 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.92 130.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.92 -24.05 20.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 m -52.17 153.92 2.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 34.6 p90 -154.07 156.91 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 3.3 pp -160.09 135.34 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.2 mm -92.1 123.33 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -114.8 123.44 49.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -61.09 140.07 57.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' SER . 45.5 t -61.23 122.85 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' SER . 6.3 t -36.26 -64.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.7 74.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -121.78 -55.62 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -143.1 176.56 9.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' LYS . 91.7 p -91.86 -45.04 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' SER . 11.6 mptt -35.21 -39.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -110.68 85.29 4.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.45 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.77 -44.65 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.376 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.45 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 14.2 m-85 -138.24 177.51 7.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 64' ' ' LEU . 95.3 m -147.39 138.15 23.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.439 ' N ' HG23 ' A' ' 63' ' ' THR . 31.2 tp -94.65 140.23 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 39' ' ' LEU . 60.0 t -127.31 98.86 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.04 115.32 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -83.56 114.95 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -101.29 177.65 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -44.21 90.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' PHE . 12.9 mmmt 59.98 40.28 19.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -146.85 167.24 24.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.497 HG21 ' CE1' ' A' ' 40' ' ' HIS . 40.9 t -145.91 117.79 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -109.36 127.06 54.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -105.27 100.98 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.5 mt -100.66 124.99 40.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.643 0.735 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.19 17.14 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.24 78.58 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -62.71 164.65 7.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -131.97 119.82 21.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -93.21 122.52 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -76.54 -36.35 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -38.71 -38.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.4 p -131.26 5.89 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 55.79 39.17 30.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.462 HE21 ' N ' ' A' ' 99' ' ' GLY . 21.5 mt-30 -114.36 177.74 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 36.1 m-85 -115.95 152.59 33.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -139.29 148.69 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.088 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.45 137.07 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.8 -166.39 3.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -58.74 149.5 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' C ' ' HE2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -58.38 -174.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 93' ' ' ASN . 46.9 tttp -175.24 151.58 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 92' ' ' LYS . 20.9 t-20 -36.04 -52.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -122.86 38.91 2.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.94 154.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -80.34 137.86 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.415 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 89.5 m-85 -115.6 136.57 52.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CD2' ' HA ' ' A' ' 104' ' ' ILE . 71.9 m-85 -122.13 122.2 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.462 ' N ' HE21 ' A' ' 85' ' ' GLN . . . -35.56 -40.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.55 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 1.9 m -162.26 177.05 9.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.97 0.414 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.504 HG23 ' CE2' ' A' ' 86' ' ' TYR . 98.0 t -57.1 -43.95 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.24 -40.67 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -46.35 91.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.517 ' HA ' ' CD2' ' A' ' 98' ' ' PHE . 96.4 mt -48.76 -54.15 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.44 -54.87 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -45.9 -63.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -57.51 -36.94 72.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -61.74 -41.16 97.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 108' ' ' HIS . 97.5 mt-30 -35.85 -43.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -99.03 -40.86 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -86.63 128.68 55.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.04 52.88 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' VAL . 28.4 tp -104.8 88.65 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.458 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 88.8 t -33.77 119.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 93.8 mt -110.75 75.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.401 HG13 ' CG1' ' A' ' 114' ' ' VAL . 36.5 mt -95.22 124.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -125.53 -54.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.0 m -70.38 152.13 44.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 120' ' ' ASN . 62.7 mm-40 -49.57 -54.26 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 119' ' ' GLN . 2.2 m120 -37.3 156.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -81.64 41.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.3 t -73.18 137.14 44.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -121.6 92.76 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -97.68 27.51 4.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 3.6 p -48.02 146.28 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -152.06 143.15 23.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -90.52 132.12 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 27.7 mt -54.59 121.25 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -120.88 -41.58 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -108.91 152.9 24.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -126.09 94.15 4.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 133' ' ' LYS . 85.1 t -80.92 145.11 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.4 ' N ' HG12 ' A' ' 132' ' ' VAL . 26.0 ttmt -123.81 150.51 44.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.38 146.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.8 m -175.59 160.21 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 45.8 p -124.94 42.47 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -53.17 -96.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 85.44 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.3 p -152.62 160.1 43.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 26.3 p -69.54 136.81 51.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.442 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -143.33 128.93 19.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -110.81 138.94 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.925 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.84 -139.95 2.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.1 p -104.98 95.09 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -138.93 143.65 38.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.23 145.9 18.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 160.88 48.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -72.36 -49.79 31.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -89.68 148.2 23.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.4 p -108.69 109.54 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.1 m -106.87 -53.31 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.089 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -68.48 -48.72 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.01 -54.28 1.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.12 -47.83 17.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.409 ' C ' HD13 ' A' ' 20' ' ' LEU . 23.2 mm100 -60.42 -39.11 86.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -51.89 -41.36 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.49 66.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -95.39 19.42 10.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 16' ' ' GLN . 26.1 mt -121.48 -32.86 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.43 HD21 ' CE2' ' A' ' 26' ' ' TYR . 84.5 mt -64.89 130.13 42.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.84 -35.77 4.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.477 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 56.1 mmtt -43.07 137.99 2.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.558 0.694 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -5.15 15.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.477 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 24.2 p-90 -111.06 -22.48 11.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.517 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 44.1 t80 -66.38 98.06 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' CB ' HG11 ' A' ' 134' ' ' VAL . . . -68.31 -20.17 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.517 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 72.62 -167.46 53.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.82 75.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 111.084 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.24 161.62 20.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -75.84 150.33 37.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -52.22 -42.94 63.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -51.41 -60.22 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -47.87 -50.4 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.39 75.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -65.97 -37.66 86.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -65.36 -58.05 6.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -25.43 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 65' ' ' VAL . 50.5 mt -84.85 -54.24 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.419 ' NE2' HG22 ' A' ' 72' ' ' VAL . 25.7 m-70 -56.69 -30.69 63.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.0 ptm180 -71.67 -31.8 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 9.9 t -64.19 -51.52 63.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 t30 67.09 39.91 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 29.3 mtmt -134.9 88.25 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.469 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -42.81 115.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 134.74 -22.12 3.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.9 m -60.56 147.23 42.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 105' ' ' VAL . 34.5 p90 -143.14 159.77 41.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 1.3 pp -167.48 127.28 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.9 mm -90.19 133.03 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -118.59 124.78 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' SER . 20.0 ttmm -63.03 135.7 57.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' LYS . 54.6 p -34.56 150.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -134.2 -55.78 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.91 -157.41 0.91 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -103.94 88.75 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.819 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.19 -178.12 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.0 m -115.89 -75.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -101.69 50.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -134.71 83.2 42.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.526 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 53.8 Cg_endo -69.8 -36.25 11.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 22.0 m-85 -148.82 176.81 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.2 m -148.87 131.03 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.515 ' CD2' ' CD2' ' A' ' 113' ' ' LEU . 10.3 tp -91.73 131.02 37.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 39' ' ' LEU . 32.8 t -118.03 103.1 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.46 115.65 28.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 71' ' ' ARG . 37.1 t80 -83.58 133.21 34.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -121.07 166.81 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.469 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 11.1 t-20 -37.09 93.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' PHE . 4.6 mmmm 58.68 47.47 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.427 ' O ' ' CD1' ' A' ' 67' ' ' PHE . 87.7 mtt-85 -155.47 171.48 19.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.419 HG22 ' NE2' ' A' ' 40' ' ' HIS . 60.2 t -150.06 119.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -113.84 118.98 35.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -100.33 97.89 8.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.436 HD13 ' CD2' ' A' ' 115' ' ' LEU . 22.8 mt -92.03 126.24 53.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.65 23.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.7 t -103.29 79.8 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -69.11 145.63 53.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 50.8 t80 -110.67 126.75 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 97' ' ' TYR . 5.3 mp -95.31 112.81 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' ALA . 26.6 tt0 -67.95 -39.08 83.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -36.3 -47.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' LYS . 22.7 p -132.81 31.68 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 9.3 mmpt? 36.76 44.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -106.68 175.37 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 50.6 m-85 -124.39 143.17 50.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -132.36 164.43 26.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.79 149.07 42.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.29 -176.47 54.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -125.88 37.03 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 92' ' ' LYS . 5.0 tppp? -153.35 105.17 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 95' ' ' GLU . 38.4 tttp -34.12 -43.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -43.54 93.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . 99.65 -28.12 16.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 94' ' ' GLY . 20.9 mt-10 -32.49 128.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 21.8 tt0 -107.72 117.19 33.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.565 ' CE2' HG12 ' A' ' 80' ' ' ILE . 2.6 m-85 -89.8 127.3 35.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 96' ' ' GLU . 14.7 m-85 -123.57 168.36 12.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.79 -37.85 66.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.558 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 2.5 m -155.25 174.91 14.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.483 HG23 ' CD2' ' A' ' 86' ' ' TYR . 91.7 t -59.7 -53.03 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.2 t -45.87 -46.57 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.64 -47.32 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.563 HG12 ' CD1' ' A' ' 98' ' ' PHE . 96.1 mt -46.5 -43.89 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.563 HG13 ' CE2' ' A' ' 48' ' ' PHE . 94.2 t -77.72 -55.87 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -42.46 -54.23 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.26 -49.39 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -50.15 -40.51 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' HIS . 73.4 mt-30 -37.04 -42.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.43 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 72.7 m-70 -101.15 -43.64 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.424 ' C ' ' HG2' ' A' ' 127' ' ' ARG . 3.7 m-20 -81.09 134.32 52.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.15 44.34 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.515 ' CD2' ' CD2' ' A' ' 64' ' ' LEU . 41.4 tp -110.3 87.43 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t -42.41 146.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.436 ' CD2' HD13 ' A' ' 75' ' ' ILE . 3.5 mt -132.37 86.87 2.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.02 97.3 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.28 111.74 2.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.6 p -48.6 143.71 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 55.6 38.36 30.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -169.24 132.96 1.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -81.37 74.97 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.2 p -132.85 100.28 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -102.47 51.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -84.08 122.41 28.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.4 p -112.28 146.32 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -148.27 146.76 28.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.43 ' CD ' ' O ' ' A' ' 110' ' ' HIS . 27.1 mtm180 -94.94 138.95 32.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 28.6 mt -58.56 117.53 4.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -117.27 -38.75 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.566 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 3.8 m-85 -111.11 150.95 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -123.85 98.59 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.054 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 87.2 t -103.25 119.28 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -112.38 136.02 52.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 135' ' ' SER . 8.0 p -86.62 139.79 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 134' ' ' VAL . 15.7 t -160.75 129.99 4.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.8 t -162.15 174.67 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 153.84 156.55 7.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.46 11.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.2 m -112.07 170.89 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 98.9 p -134.28 118.15 17.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -140.27 130.11 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -54.69 109.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.1 -60.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -103.47 137.28 41.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.891 0.377 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -85.47 143.44 28.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.19 -176.59 16.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 108.95 2.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -59.19 153.95 17.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -55.07 121.18 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -90.12 46.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 m -48.69 -63.04 1.2 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ASP . 8.5 m-85 -42.72 -56.06 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -33.19 -34.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' PHE . 65.1 m-20 -75.25 -64.62 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.457 ' NE2' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.54 -36.79 35.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 19.0 tt0 -50.41 -18.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.1 -25.19 61.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -98.16 10.89 39.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.457 HD11 ' NE2' ' A' ' 16' ' ' GLN . 19.9 mt -115.49 -29.11 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.7 mt -69.26 123.85 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.34 -27.98 11.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.516 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 52.6 mmtt -56.26 137.21 74.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -17.67 37.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.516 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 30.6 p-90 -96.72 -14.07 22.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.519 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 26.4 t80 -77.04 93.95 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.72 -16.85 64.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.519 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 80.52 -124.52 6.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.78 38.81 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.0 m -80.03 157.65 26.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -61.69 151.33 34.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -62.6 -46.42 88.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -50.52 -58.19 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.418 ' C ' HG21 ' A' ' 134' ' ' VAL . 5.0 m -47.24 -46.59 24.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.55 -39.64 49.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -71.07 -39.35 72.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -66.2 -50.46 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.98 -33.47 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.456 ' CD1' ' CG1' ' A' ' 65' ' ' VAL . 33.5 mt -80.62 -37.24 31.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.463 ' CD2' HG21 ' A' ' 72' ' ' VAL . 22.2 m-70 -68.97 -32.42 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 42' ' ' SER . 4.0 ptt-85 -71.41 -30.04 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 23.3 t -61.03 -51.84 67.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t30 66.03 39.64 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HD2' ' CE2' ' A' ' 130' ' ' TYR . 25.1 mtmt -132.0 87.5 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.39 105.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 141.37 -13.79 2.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -62.84 164.41 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 130' ' ' TYR . 30.7 p90 -164.75 154.55 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.5 pp -159.4 130.95 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.449 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 22.0 mm -91.13 113.02 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -104.46 140.14 38.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -80.94 137.02 36.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.3 t -48.65 126.27 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.9 p -49.2 -54.63 15.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.55 -158.28 11.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -123.07 102.18 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -144.07 145.85 32.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.0 m -85.3 -33.29 22.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -45.78 85.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -121.15 86.29 42.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -43.28 2.74 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.303 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -140.44 172.63 12.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.0 m -141.75 131.38 24.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 113' ' ' LEU . 9.4 tp -92.17 140.7 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.456 ' CG1' ' CD1' ' A' ' 39' ' ' LEU . 45.5 t -126.7 98.72 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.99 116.62 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -82.92 118.38 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CZ ' ' OD2' ' A' ' 124' ' ' ASP . 1.5 t80 -104.64 177.32 4.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.06 91.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 68' ' ' PHE . 4.9 mmmm 60.89 38.17 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -149.74 163.9 36.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.463 HG21 ' CD2' ' A' ' 40' ' ' HIS . 61.4 t -137.37 124.4 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -116.82 111.22 19.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.957 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -96.33 94.34 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.1 mt -90.72 131.68 37.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.164 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 135.18 29.77 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.353 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.3 t -107.6 78.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -66.53 156.33 35.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 61.1 t80 -122.09 115.76 23.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.0 mp -89.47 88.03 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -47.41 -39.96 16.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.83 -34.64 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.8 p -123.18 4.23 9.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.464 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 36.1 mmtm 52.46 36.03 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -120.79 -178.05 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.524 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 4.5 m-85 -130.54 138.58 50.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.36 169.87 9.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.95 138.72 41.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.46 -172.46 55.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -104.6 -18.31 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.361 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -175.15 137.02 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -173.0 141.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -59.6 142.56 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 45.77 49.8 12.16 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.16 124.46 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -78.64 142.4 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -99.69 174.16 6.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.456 ' CD1' HG12 ' A' ' 104' ' ' ILE . 89.1 m-85 -153.97 127.13 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -35.93 -52.74 1.19 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.524 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 m -151.83 -177.28 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 0.0 110.848 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 56.9 t -56.39 -58.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.7 t -46.69 -42.95 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.93 -41.96 79.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 98' ' ' PHE . 81.5 mt -57.52 -34.55 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.4 t -82.43 -53.17 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -54.38 -31.17 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -74.52 -36.44 63.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.481 ' CD2' HD12 ' A' ' 113' ' ' LEU . 5.7 m-70 -73.48 -26.31 60.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -42.35 -39.28 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -100.18 -51.63 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -82.63 140.24 44.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.46 ' HA ' ' CG ' ' A' ' 127' ' ' ARG . 54.0 Cg_endo -69.7 142.05 47.16 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.738 2.292 . . . . 0.0 112.342 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' A' ' 108' ' ' HIS . 2.5 tt -91.05 90.19 7.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.5 p -56.02 134.53 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.3 mt -121.37 108.51 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.3 mt -114.08 91.48 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' SER . 19.9 p-10 -105.67 35.34 2.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' ASP . 38.5 m 36.63 44.61 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -122.3 -55.98 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 121' ' ' ASN . 85.3 m-20 -94.97 -7.08 40.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 120' ' ' ASN . 66.7 m-20 35.48 34.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 120' ' ' ASN . 1.0 OUTLIER -115.16 1.88 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt 54.85 48.89 19.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.545 ' OD2' ' CZ ' ' A' ' 68' ' ' PHE . 10.8 t0 -54.04 171.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.1 p -170.64 148.05 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.5 t -158.38 128.43 5.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.46 ' CG ' ' HA ' ' A' ' 112' ' ' PRO . 45.6 mtt180 -79.21 144.26 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 14.9 mt -71.56 126.25 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -130.35 -41.8 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 15.6 m-85 -102.07 154.63 18.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -132.54 95.66 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.3 t -87.31 135.77 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -113.13 113.08 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.418 HG21 ' C ' ' A' ' 34' ' ' SER . 3.6 p -71.28 150.33 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.5 p -152.92 137.33 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.4 p -50.03 161.9 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -164.1 -94.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 132.26 22.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 58.5 m -146.19 132.53 19.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.5 m -106.63 -55.54 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.749 0.309 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.75 -47.54 30.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -58.17 -40.15 80.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.604 ' HA ' HD12 ' A' ' 20' ' ' LEU . 42.6 tt0 -52.24 -42.44 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.32 -37.19 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -96.29 24.64 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 17' ' ' GLU . 40.0 mt -130.15 -31.7 1.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.5 mt -63.25 127.1 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.33 -35.25 5.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 66.1 mmtt -44.12 136.87 3.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.54 12.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.307 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.564 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 23.8 p-90 -113.29 -21.9 10.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.532 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 43.4 t80 -67.26 98.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.987 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -66.47 -21.29 66.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.532 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 73.74 -155.15 49.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.86 43.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.55 149.55 24.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -49.04 144.66 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 20.3 ttp180 -58.43 -49.78 76.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -50.95 -49.72 59.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.806 ' HB3' HG21 ' A' ' 134' ' ' VAL . 45.2 m -52.73 -43.55 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.45 -43.81 68.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.583 ' HG2' HG11 ' A' ' 72' ' ' VAL . 46.5 mt-10 -69.31 -43.08 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.23 -56.79 16.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' O ' HG11 ' A' ' 132' ' ' VAL . . . -51.46 -26.61 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.699 HD22 ' HB2' ' A' ' 67' ' ' PHE . 46.5 mt -82.45 -51.98 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -55.98 -32.24 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 42' ' ' SER . 5.3 ptm180 -71.73 -30.0 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 46.9 t -64.51 -52.7 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.7 t30 63.66 41.05 7.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -134.79 87.13 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.476 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -42.57 108.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.78 -16.74 3.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.528 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.8 m -67.1 155.15 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 110.847 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' CD1' HD22 ' A' ' 128' ' ' LEU . 37.2 p90 -150.51 167.49 27.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.987 HD13 ' HB2' ' A' ' 27' ' ' ALA . 2.1 pp -172.19 126.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.402 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 6.4 mm -88.23 127.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.409 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 13.0 ptt180 -117.58 119.05 33.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -49.18 136.94 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.2 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.641 0.734 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.471 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.7 -48.15 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 35.7 m-85 -139.48 176.41 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 75' ' ' ILE . 55.4 m -145.77 127.23 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.6 tp -87.04 140.8 29.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 t -130.29 98.87 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.25 117.52 29.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.699 ' HB2' HD22 ' A' ' 39' ' ' LEU . 39.4 t80 -83.87 133.38 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.1 t80 -120.77 179.49 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.476 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 1.3 t30 -41.92 91.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' PHE . 25.0 mmtp 56.11 41.96 28.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 70' ' ' LYS . 20.6 mmt85 -146.28 165.47 29.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.583 HG11 ' HG2' ' A' ' 36' ' ' GLU . 34.7 t -142.42 119.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -118.02 112.93 20.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.1 97.28 7.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 63' ' ' THR . 8.5 mt -90.95 131.61 36.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 126.41 13.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.303 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -95.59 82.26 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.6 mtt85 -64.45 159.09 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.51 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 22.4 t80 -127.92 106.02 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.525 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.1 mp -75.29 89.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.177 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 82' ' ' ALA . 24.7 tt0 -50.48 -41.11 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -33.98 -44.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.1 p -123.53 4.32 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 36.1 mmtt 60.65 35.67 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -106.43 178.71 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.412 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.2 m-85 -126.31 147.65 49.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -141.78 164.33 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.77 139.93 39.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.865 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.521 ' CD2' HG12 ' A' ' 104' ' ' ILE . 54.4 m-85 -102.85 169.82 8.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.32 -29.18 15.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -157.54 169.07 25.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.56 -47.03 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.09 -39.39 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.47 -41.86 90.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.521 HG12 ' CD2' ' A' ' 98' ' ' PHE . 77.1 mt -54.14 -35.05 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.419 HG13 HD13 ' A' ' 128' ' ' LEU . 96.9 t -83.31 -47.08 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -56.67 -52.29 65.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -63.9 -40.32 96.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.728 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -63.38 -43.38 97.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' HIS . 21.1 mt-30 -34.96 -41.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -102.02 -43.15 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -84.13 133.45 45.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.18 49.77 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.728 HD22 ' CD2' ' A' ' 108' ' ' HIS . 30.9 tp -113.39 92.83 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.41 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 85.8 t -48.4 126.43 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 6.5 p -98.99 162.77 12.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.0 t -158.89 131.9 7.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -82.56 121.14 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 48' ' ' PHE . 59.5 mt -41.74 117.43 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -120.96 -40.67 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -107.44 158.8 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -132.67 97.17 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.535 HG11 ' O ' ' A' ' 38' ' ' ALA . 96.9 t -101.8 104.64 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -100.36 126.56 46.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.806 HG21 ' HB3' ' A' ' 34' ' ' SER . 8.5 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.07 -37.53 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -66.65 -45.02 80.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 20' ' ' LEU . 32.9 tt0 -47.07 -45.03 21.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.83 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.9 18.47 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 17' ' ' GLU . 21.7 mt -123.2 -31.63 3.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 mt -61.48 125.89 25.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.54 -35.44 4.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -49.04 137.01 14.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.557 0.694 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.02 17.58 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.541 ' CZ3' HG13 ' A' ' 50' ' ' ILE . 37.9 p-90 -111.28 -30.21 7.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 18.7 t80 -62.03 97.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.895 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -69.43 -17.07 63.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.458 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 74.75 -153.44 45.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.17 42.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.75 150.27 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.77 144.92 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 31.0 ttt180 -58.94 -49.93 75.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -48.04 -53.7 15.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.695 ' HB3' HG21 ' A' ' 134' ' ' VAL . 3.1 m -50.03 -38.18 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 32' ' ' ARG . . . -59.6 -50.1 75.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.14 -36.26 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -69.79 -51.63 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -54.84 -24.72 24.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.568 HD22 ' CB ' ' A' ' 67' ' ' PHE . 39.8 mt -89.0 -48.92 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -60.5 -29.51 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 42' ' ' SER . 8.0 ptm180 -72.72 -40.79 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 8.9 t -55.91 -50.13 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 66.56 46.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -132.76 83.59 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.08 120.26 1.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.14 -18.35 8.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 m -58.54 155.98 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.39 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.632 ' HB3' HD22 ' A' ' 128' ' ' LEU . 34.1 p90 -151.61 153.7 34.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 27' ' ' ALA . 1.2 pp -159.93 135.65 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.775 HD13 ' HA ' ' A' ' 64' ' ' LEU . 23.5 mm -96.11 130.34 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.0 ptt85 -119.89 125.48 48.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -59.56 141.01 55.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.447 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.7 -45.11 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.508 ' CD2' HG21 ' A' ' 101' ' ' VAL . 20.5 m-85 -141.34 174.05 10.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.2 m -144.21 126.07 15.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.172 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.775 ' HA ' HD13 ' A' ' 50' ' ' ILE . 4.1 tp -85.12 131.99 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.427 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 46.3 t -119.36 102.13 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.82 121.17 30.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CB ' HD22 ' A' ' 39' ' ' LEU . 36.4 t80 -87.05 115.96 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -102.64 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -44.4 91.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' PHE . 72.0 mmtt 61.17 40.95 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 32.5 mtp180 -153.9 158.49 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.427 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 54.0 t -135.63 120.75 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -110.83 119.38 38.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -96.94 98.92 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.567 HD11 ' CD2' ' A' ' 115' ' ' LEU . 30.0 mt -94.38 121.52 63.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 127.73 15.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.568 HG22 HD13 ' A' ' 88' ' ' LEU . 99.2 t -98.62 85.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -74.97 153.34 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -117.71 123.92 47.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 mp -93.94 121.05 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' ALA . 34.5 tt0 -76.82 -35.94 57.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -37.24 -39.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.1 p -128.07 -3.38 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt 67.79 41.52 2.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -118.52 177.32 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.482 ' CB ' HD11 ' A' ' 104' ' ' ILE . 2.8 m-85 -121.52 158.11 29.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.668 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -145.46 176.48 9.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.668 HD22 ' C ' ' A' ' 87' ' ' ALA . 2.2 mm? -117.42 142.6 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.966 0.413 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.592 ' CD2' HG12 ' A' ' 104' ' ' ILE . 85.7 m-85 -108.85 -75.14 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.12 -13.53 3.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 p -167.85 158.95 11.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' A' ' 104' ' ' ILE . 35.6 t -64.03 -43.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.53 -44.28 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -59.82 -42.08 92.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.592 HG12 ' CD2' ' A' ' 98' ' ' PHE . 63.2 mt -50.12 -41.68 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.537 HG13 ' CD1' ' A' ' 128' ' ' LEU . 94.9 t -81.01 -54.24 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.41 ' HA ' ' CD ' ' A' ' 109' ' ' GLN . 33.3 m-20 -44.96 -37.94 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.487 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 3.2 m -75.17 -39.49 60.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.74 -12.33 52.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.41 ' CD ' ' HA ' ' A' ' 106' ' ' ASN . 82.7 mt-30 -67.71 -33.67 75.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -107.85 20.25 19.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 107' ' ' SER . 4.4 p30 -156.9 143.47 13.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.735 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.484 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 54.4 Cg_endo -69.72 141.82 46.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.8 tp -98.05 101.73 13.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.45 135.39 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.567 ' CD2' HD11 ' A' ' 75' ' ' ILE . 26.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.2 p -88.64 141.76 28.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.8 t -145.36 134.54 22.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.484 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 45.1 mtm180 -77.98 152.15 33.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 48' ' ' PHE . 38.7 mt -81.76 111.74 18.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -110.7 -44.39 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.5 m-85 -103.96 150.47 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -130.26 98.5 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -99.89 119.01 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -107.08 132.05 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.808 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.2 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.181 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.768 0.318 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -55.2 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -53.76 -38.44 64.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.717 ' HA ' HD12 ' A' ' 20' ' ' LEU . 33.5 tt0 -56.5 -40.67 75.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.25 -38.83 42.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.51 24.72 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' A' ' 17' ' ' GLU . 38.8 mt -128.75 -31.31 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.61 HD23 ' CE2' ' A' ' 26' ' ' TYR . 55.3 mt -63.56 128.69 36.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.37 -34.65 5.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 40.7 mmtt -43.3 137.85 2.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.53 0.681 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -4.08 13.31 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.434 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 27.5 p-90 -114.71 -20.45 10.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.61 ' CE2' HD23 ' A' ' 21' ' ' LEU . 27.6 t80 -69.45 93.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.728 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -66.09 -22.03 66.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.525 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 81.32 -144.94 24.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.38 42.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' CB ' HG11 ' A' ' 134' ' ' VAL . 14.6 p -67.9 -177.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.836 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.55 156.19 16.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.86 -39.98 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -72.32 -59.73 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.554 ' HB3' HG21 ' A' ' 134' ' ' VAL . 4.0 m -41.03 -43.5 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.24 -52.89 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.61 -46.36 90.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 39' ' ' LEU . 31.4 mm-40 -55.69 -66.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -41.13 -26.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.425 HD22 ' HB2' ' A' ' 67' ' ' PHE . 71.6 mt -84.37 -54.89 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -56.21 -30.02 61.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 42' ' ' SER . 9.1 ptm180 -72.72 -32.05 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 22.9 t -64.46 -49.03 73.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 43' ' ' ASN . 2.8 t30 64.83 45.17 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 37.5 mtpt -134.83 81.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -35.74 126.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.54 -25.72 7.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 m -51.42 156.89 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 24.1 p90 -157.81 161.86 38.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.4 pp -166.61 139.01 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.434 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 11.6 mm -95.13 120.86 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -112.09 123.59 50.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' SER . 49.5 tttm -62.26 140.22 58.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' LYS . 30.5 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -42.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.731 2.287 . . . . 0.0 112.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -144.36 178.69 7.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 75' ' ' ILE . 89.9 m -151.0 126.95 10.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 113' ' ' LEU . 24.3 tp -85.75 137.9 32.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.49 HG13 ' OD1' ' A' ' 74' ' ' ASN . 8.4 t -123.48 100.24 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.59 119.83 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.425 ' HB2' HD22 ' A' ' 39' ' ' LEU . 43.1 t80 -85.8 118.19 25.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -104.13 176.05 5.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -46.51 89.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' PHE . 1.4 mmmp? 63.93 38.3 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 27.7 mtp180 -151.92 160.89 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.46 HG13 HG12 ' A' ' 65' ' ' VAL . 61.7 t -136.19 122.56 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.443 ' CD1' HD13 ' A' ' 115' ' ' LEU . 16.2 m-85 -111.76 115.74 29.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.49 ' OD1' HG13 ' A' ' 65' ' ' VAL . 2.2 m-80 -99.67 103.0 14.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 63' ' ' THR . 21.0 mt -99.26 122.56 51.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 111.089 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 118.44 5.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -88.58 80.44 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -59.11 163.27 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -131.71 111.34 11.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.61 90.21 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -51.65 -34.12 36.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.44 -38.25 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.9 p -124.71 6.57 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 54.33 29.2 10.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -104.52 -179.38 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 87.0 m-85 -128.05 146.13 50.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -135.43 160.89 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.1 136.92 41.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.869 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.914 0.388 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.579 ' CD1' HG12 ' A' ' 104' ' ' ILE . 63.4 m-85 -144.53 114.74 7.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.31 -40.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.45 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 m -149.36 -179.78 7.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.9 t -70.56 -48.16 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.168 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 66.1 t -47.58 -44.92 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -55.68 -46.64 77.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.579 HG12 ' CD1' ' A' ' 98' ' ' PHE . 74.2 mt -47.16 -38.84 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.434 HG13 ' CD1' ' A' ' 128' ' ' LEU . 94.7 t -81.58 -45.69 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -54.5 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -55.25 -44.47 75.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.607 ' CD2' HD12 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -52.22 -44.48 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 108' ' ' HIS . 68.2 mt-30 -31.18 -43.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -90.54 -46.02 8.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -91.61 124.51 60.57 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.639 0.733 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.33 47.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.607 HD12 ' CD2' ' A' ' 108' ' ' HIS . 3.4 tt -91.53 85.91 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 114' ' ' VAL . 10.4 p -42.01 124.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 75' ' ' ILE . 34.5 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.813 0.34 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.481 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 86.4 p -100.15 149.94 23.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.6 t -143.81 147.86 34.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -102.86 129.76 49.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.566 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 24.4 mt -53.42 104.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -109.21 -45.88 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.57 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.4 m-85 -103.09 149.71 24.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -122.16 93.82 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.99 104.67 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -98.96 127.73 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.728 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.0 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.83 0.348 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -43.63 98.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -58.95 -37.11 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.796 ' HA ' HD12 ' A' ' 20' ' ' LEU . 26.2 tt0 -56.5 -38.62 72.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.32 -34.1 45.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.056 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.72 23.87 9.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 17' ' ' GLU . 22.4 mt -126.34 -30.19 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.6 mt -65.77 125.4 25.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.41 -34.68 5.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 41.6 mmtt -45.24 137.14 5.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -6.64 19.09 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.48 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 19.6 p-90 -108.46 -28.48 9.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 28.9 t80 -61.04 97.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.954 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -67.77 -17.15 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 79.69 -138.63 20.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.85 37.29 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.177 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.435 ' CB ' HG11 ' A' ' 134' ' ' VAL . 22.1 p -63.12 174.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -93.26 166.1 12.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -60.66 -35.01 75.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -75.15 -66.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.631 ' HB3' HG21 ' A' ' 134' ' ' VAL . 24.2 m -38.46 -38.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.67 -49.15 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.067 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.97 -42.58 89.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.86 -60.2 4.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.92 -26.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.733 HD22 ' HB2' ' A' ' 67' ' ' PHE . 21.4 mt -85.14 -55.41 4.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.427 ' NE2' HG23 ' A' ' 72' ' ' VAL . 22.8 m-70 -56.28 -29.88 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -74.85 -36.7 62.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.1 t -58.14 -47.99 81.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 63.4 42.55 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.457 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 33.8 mtmt -134.31 82.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -35.49 132.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.9 -21.4 20.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -56.42 156.53 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.657 ' CG ' HD22 ' A' ' 128' ' ' LEU . 19.2 p90 -157.02 162.28 39.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 49' ' ' LEU . 4.0 pp -168.4 127.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mm -83.94 124.62 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HD3' HG21 ' A' ' 65' ' ' VAL . 29.6 ptt85 -116.51 121.76 42.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.36 146.67 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.897 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.635 0.731 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -47.66 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -139.53 173.01 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.8 m -144.67 137.36 26.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.442 ' CD2' ' CD2' ' A' ' 113' ' ' LEU . 9.5 tp -92.52 145.98 24.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.431 HG21 ' HD3' ' A' ' 51' ' ' ARG . 26.4 t -134.17 96.2 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.45 118.64 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.733 ' HB2' HD22 ' A' ' 39' ' ' LEU . 57.3 t80 -84.02 114.73 21.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 124' ' ' ASP . 1.5 t80 -102.28 -179.82 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -47.02 91.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' PHE . 40.5 mmtt 58.45 33.97 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -144.15 156.88 44.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.427 HG23 ' NE2' ' A' ' 40' ' ' HIS . 49.0 t -133.81 120.87 38.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -112.08 117.05 31.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.33 102.16 13.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 63' ' ' THR . 33.5 mt -96.72 122.15 57.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.07 16.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.649 HG22 ' CD1' ' A' ' 88' ' ' LEU . 47.8 t -101.5 86.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -74.67 154.07 38.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -119.06 129.59 55.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.457 HG12 ' CE2' ' A' ' 97' ' ' TYR . 5.0 mp -103.23 114.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 82' ' ' ALA . 28.9 tt0 -66.0 -43.31 88.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.35 -56.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.6 p -110.71 8.1 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt 50.61 45.37 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -119.95 173.4 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 8.8 m-85 -118.96 146.06 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.503 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . . . -131.89 164.84 25.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.649 ' CD1' HG22 ' A' ' 77' ' ' VAL . 3.0 mm? -112.52 139.03 48.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.858 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 5.2 m-30 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.908 0.385 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CD1' HG12 ' A' ' 104' ' ' ILE . 3.1 m-85 -97.16 158.73 15.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.26 59.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.574 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 3.2 m -163.8 -178.77 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 110.876 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 87.1 t -59.52 -53.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.1 t -42.75 -43.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.46 -43.96 92.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.588 HG12 ' CD1' ' A' ' 98' ' ' PHE . 67.6 mt -50.48 -49.63 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.549 HG13 HD13 ' A' ' 128' ' ' LEU . 96.3 t -74.12 -59.32 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -39.81 -58.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -60.03 -42.54 94.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -57.64 -37.0 72.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -41.14 -42.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -100.08 -47.62 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.435 ' C ' ' HG2' ' A' ' 127' ' ' ARG . 36.0 m-80 -77.52 137.51 63.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 145.08 56.23 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.515 HD22 ' CD2' ' A' ' 108' ' ' HIS . 42.4 tp -110.78 80.88 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.452 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 8.6 p -42.48 131.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.564 HD23 HD11 ' A' ' 75' ' ' ILE . 9.5 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 11.5 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.452 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.1 p -77.58 139.31 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.2 t -145.46 142.11 28.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.435 ' HG2' ' C ' ' A' ' 111' ' ' ASN . 23.3 mtm180 -93.56 133.82 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.657 HD22 ' CG ' ' A' ' 48' ' ' PHE . 27.1 mt -55.71 116.71 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -117.73 -39.68 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.457 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 29.0 m-85 -107.66 150.05 27.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.63 98.77 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 78.7 t -102.25 104.93 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -98.83 119.5 37.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.631 HG21 ' HB3' ' A' ' 34' ' ' SER . 3.2 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.803 0.335 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -54.63 41.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -45.81 -40.25 9.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.4 tp10 -50.63 -39.6 50.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.05 -40.64 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -94.92 24.38 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' A' ' 17' ' ' GLU . 21.5 mt -126.13 -31.62 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.1 134.72 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.03 -36.0 4.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.51 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 47.2 mmtt -44.93 134.7 5.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -4.66 14.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.51 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 20.3 p-90 -110.97 -21.52 11.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 33.1 t80 -67.45 95.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.7 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -64.73 -22.34 66.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.524 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 81.88 -152.94 32.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.13 47.07 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.56 169.62 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.48 150.77 38.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -59.67 -44.57 93.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -54.8 -57.75 10.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 m -50.33 -45.99 55.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -45.88 62.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -65.76 -44.73 84.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.73 -46.55 84.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.532 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -56.76 -29.95 63.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 67' ' ' PHE . 53.0 mt -83.02 -54.14 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -55.77 -30.24 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' HG3' ' N ' ' A' ' 42' ' ' SER . 5.1 ptm180 -73.29 -30.38 63.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.481 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 27.4 t -67.95 -49.42 61.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 65.42 46.43 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 45' ' ' ASP . 16.8 mtpp -134.71 82.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -35.91 129.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.77 -29.5 7.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -46.92 152.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 0.0 110.871 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.62 ' HB3' HD22 ' A' ' 128' ' ' LEU . 33.9 p90 -149.73 158.52 44.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 27' ' ' ALA . 2.9 pp -163.43 142.76 8.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.459 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 17.4 mm -103.17 131.11 52.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -118.43 123.1 44.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.15 137.92 57.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.605 0.717 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -49.18 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.378 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -134.97 173.92 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.8 m -144.82 132.99 21.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.433 ' HA ' HD13 ' A' ' 50' ' ' ILE . 56.0 tp -92.19 148.2 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 32.8 t -134.48 95.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.13 125.0 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.083 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.546 ' HB2' HD22 ' A' ' 39' ' ' LEU . 78.4 t80 -91.03 116.15 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -103.02 -177.32 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 34.4 p-10 -44.92 89.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 68' ' ' PHE . 28.7 mmtp 58.52 37.75 25.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -147.45 159.94 43.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 58.2 t -131.24 123.71 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -115.04 109.75 18.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -96.3 101.06 12.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.754 HD12 HD21 ' A' ' 113' ' ' LEU . 32.0 mt -95.01 131.65 29.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 111.1 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 126.04 12.82 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -96.52 85.8 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -62.91 158.65 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -118.71 129.83 55.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.4 mm -99.73 75.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' ALA . 13.3 tt0 -43.36 -46.95 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -36.5 -46.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 p -124.73 19.91 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt 47.06 39.78 8.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.448 ' CD ' ' HB3' ' A' ' 97' ' ' TYR . 28.1 mt-30 -106.83 -174.04 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.692 ' CB ' HD11 ' A' ' 104' ' ' ILE . 85.5 m-85 -136.48 149.29 48.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.715 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -126.12 178.22 5.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.715 HD22 ' C ' ' A' ' 87' ' ' ALA . 3.8 mm? -126.53 139.1 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.449 ' H ' HG22 ' A' ' 75' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.448 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 18.8 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.494 ' CG ' HG12 ' A' ' 104' ' ' ILE . 80.4 m-85 -112.29 124.9 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -36.24 -43.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -155.81 170.85 21.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.463 HG23 ' CZ ' ' A' ' 86' ' ' TYR . 93.2 t -55.33 -49.87 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.3 t -53.06 -38.96 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.65 -40.27 91.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.692 HD11 ' CB ' ' A' ' 86' ' ' TYR . 86.2 mt -54.94 -41.07 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.2 t -76.48 -47.72 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -56.71 -39.54 74.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.5 t -67.84 -53.84 23.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.462 ' O ' ' C ' ' A' ' 109' ' ' GLN . 5.3 m-70 -49.88 -37.49 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' HIS . 64.1 mt-30 -32.79 -41.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.408 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 36.6 m-70 -93.53 -51.89 4.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -91.85 132.45 32.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.451 ' HB2' ' N ' ' A' ' 126' ' ' THR . 53.9 Cg_endo -69.72 138.45 37.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.733 2.288 . . . . 0.0 112.319 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.754 HD21 HD12 ' A' ' 75' ' ' ILE . 35.4 tp -78.09 87.01 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.462 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.1 p -39.86 141.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 114' ' ' VAL . 6.4 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.462 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 52.5 p -98.0 141.44 30.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.451 ' N ' ' HB2' ' A' ' 112' ' ' PRO . 4.5 t -144.46 139.8 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 110' ' ' HIS . 39.7 mtm180 -84.02 138.66 32.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 48' ' ' PHE . 46.2 mt -65.97 104.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -104.39 -45.86 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -104.31 146.62 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -125.9 94.65 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 93.7 t -96.75 128.75 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -112.23 137.07 50.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.7 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.8 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.749 0.309 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.54 -42.69 74.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -53.71 -40.48 66.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.927 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.4 tm-20 -54.77 -36.75 65.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.63 69.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -95.44 28.8 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.927 HD12 ' HA ' ' A' ' 17' ' ' GLU . 22.2 mt -129.43 -29.51 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.644 HD11 ' OE2' ' A' ' 17' ' ' GLU . 77.5 mt -62.86 136.66 57.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.51 -36.25 4.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 66.2 mmtt -45.85 135.42 6.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -4.63 14.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.525 ' CE2' ' HB3' ' A' ' 23' ' ' LYS . 19.5 p-90 -111.08 -24.49 10.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 21' ' ' LEU . 22.7 t80 -64.49 92.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.672 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -64.25 -20.59 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.506 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 80.23 -161.84 45.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.37 44.13 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.724 0.297 . . . . 0.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.79 174.84 9.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.83 162.53 23.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HG3' ' NH1' ' A' ' 51' ' ' ARG . 23.8 ttp180 -70.25 -42.37 72.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -54.09 -55.42 27.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.591 ' CB ' HG21 ' A' ' 134' ' ' VAL . 7.8 m -56.13 -40.92 74.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.567 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -60.25 -39.52 87.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -74.05 -41.37 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.2 -51.45 66.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.95 -26.93 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' A' ' 67' ' ' PHE . 51.1 mt -83.68 -52.62 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -57.42 -31.48 65.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.0 ptm180 -71.44 -31.91 67.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 10.5 t -65.67 -43.4 89.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.4 t30 58.78 45.63 15.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.485 ' HD2' ' CE2' ' A' ' 130' ' ' TYR . 27.8 mtmt -134.8 81.11 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -36.3 126.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.46 -20.89 10.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -57.37 151.68 15.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 128' ' ' LEU . 33.7 p90 -151.01 153.14 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.672 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.5 pp -156.88 133.48 10.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.49 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 9.0 mm -94.13 120.9 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.43 ' HD3' HG21 ' A' ' 65' ' ' VAL . 18.7 ptt180 -111.09 127.01 55.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -63.92 140.97 58.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.472 ' NE2' ' HB3' ' A' ' 76' ' ' PRO . 3.9 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.623 0.725 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.537 ' HB2' ' CD1' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.71 -44.38 2.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.537 ' CD1' ' HB2' ' A' ' 61' ' ' PRO . 28.2 m-85 -145.54 174.91 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.414 HG23 ' HA ' ' A' ' 76' ' ' PRO . 25.0 m -142.13 121.33 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.606 HD21 HD11 ' A' ' 113' ' ' LEU . 43.4 tp -79.97 145.7 32.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.502 HG13 ' OD1' ' A' ' 74' ' ' ASN . 15.4 t -133.53 96.94 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.64 120.51 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.037 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.46 ' HB2' HD22 ' A' ' 39' ' ' LEU . 44.7 t80 -87.02 118.52 26.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.3 t80 -105.06 -178.23 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -49.34 87.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' PHE . 22.8 mmmt 63.52 39.09 9.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -150.52 157.71 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.454 HG13 HG12 ' A' ' 65' ' ' VAL . 61.3 t -134.16 117.88 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -108.06 117.29 33.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.502 ' OD1' HG13 ' A' ' 65' ' ' VAL . 3.0 m-20 -96.79 101.81 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.1 mt -100.82 122.11 50.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.472 ' HB3' ' NE2' ' A' ' 60' ' ' GLN . 54.2 Cg_endo -69.73 130.55 19.57 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 77' ' ' VAL . 89.8 t -96.31 76.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 ttm-85 -56.13 158.73 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -122.73 102.19 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mp -78.37 93.27 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 82' ' ' ALA . 17.9 tt0 -57.55 -37.57 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -35.35 -39.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 p -129.38 2.02 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 63.94 40.05 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -119.36 174.21 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.527 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 9.7 m-85 -122.06 144.39 48.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -138.36 150.56 46.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.434 HD21 ' CG2' ' A' ' 104' ' ' ILE . 4.0 mm? -81.35 141.25 34.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 179.909 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.901 0.381 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' A' ' 104' ' ' ILE . 59.2 m-85 -117.19 -46.21 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.13 -35.76 3.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.527 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 1.9 m -161.95 159.48 26.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.837 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 62' ' ' TYR . 91.2 t -52.31 -48.81 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.0 t -52.27 -46.82 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -55.07 -56.46 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.578 HG12 ' CD1' ' A' ' 98' ' ' PHE . 97.0 mt -41.93 -36.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.33 -48.44 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -54.37 -41.84 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 m -68.74 -45.68 70.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.419 ' NE2' ' HG ' ' A' ' 113' ' ' LEU . 5.2 m-70 -57.9 -37.38 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 108' ' ' HIS . 80.4 mt-30 -37.15 -36.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -104.39 -48.36 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' HIS . 80.8 m-20 -84.16 140.08 39.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HA ' ' CG ' ' A' ' 127' ' ' ARG . 53.9 Cg_endo -69.84 139.18 39.32 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.643 2.228 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.606 HD11 HD21 ' A' ' 64' ' ' LEU . 2.5 tt -83.77 93.27 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.9 p -59.27 119.06 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.408 ' CD2' HD22 ' A' ' 113' ' ' LEU . 27.8 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.867 0.365 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 59.9 p -98.85 136.87 38.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.3 t -146.17 129.06 16.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.409 ' CG ' ' HA ' ' A' ' 112' ' ' PRO . 80.5 mtt180 -74.83 151.24 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 48' ' ' PHE . 51.4 mt -79.53 109.59 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -108.15 -44.71 4.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.485 ' CE2' ' HD2' ' A' ' 44' ' ' LYS . 11.6 m-85 -103.85 152.13 22.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.431 ' HB1' ' HB3' ' A' ' 25' ' ' TRP . . . -132.06 92.52 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 67.2 t -88.48 135.21 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -120.52 98.56 6.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.599 HG12 ' HB1' ' A' ' 27' ' ' ALA . 14.9 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.801 0.334 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.17 -46.95 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -59.52 -46.51 88.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.914 ' HA ' HD12 ' A' ' 20' ' ' LEU . 27.6 tt0 -44.05 -40.13 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.37 -44.28 54.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -84.76 22.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 17' ' ' GLU . 23.2 mt -128.23 -30.2 2.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.613 HD23 ' HE2' ' A' ' 26' ' ' TYR . 18.9 mt -61.64 130.69 47.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.73 -38.68 3.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 59.8 mmtt -44.32 138.22 3.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.508 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 20.3 p-90 -109.43 -23.45 11.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.613 ' HE2' HD23 ' A' ' 21' ' ' LEU . 30.0 t80 -66.43 96.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.636 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -65.94 -21.13 66.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.516 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 88.48 -138.75 15.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.15 39.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -81.94 165.71 20.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.31 171.97 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -74.23 -31.42 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -64.12 -62.74 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.689 ' HB3' HG21 ' A' ' 134' ' ' VAL . 33.0 m -48.52 -41.76 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -55.57 -51.05 68.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.42 -39.41 93.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -57.76 -60.8 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' HG11 ' A' ' 132' ' ' VAL . . . -47.51 -25.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.748 HD22 ' CB ' ' A' ' 67' ' ' PHE . 14.9 mt -84.04 -54.23 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.486 ' NE2' HG23 ' A' ' 72' ' ' VAL . 27.9 m-70 -58.04 -31.13 66.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 42' ' ' SER . 10.6 ptm180 -72.82 -35.22 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 13.1 t -63.25 -46.37 87.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 62.68 45.78 5.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.54 ' HE3' ' CE2' ' A' ' 130' ' ' TYR . 21.1 mtpp -133.9 83.76 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -37.8 116.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.43 -24.01 4.75 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.429 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 27.5 m -54.84 153.89 5.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.531 ' CG ' HD22 ' A' ' 128' ' ' LEU . 30.7 p90 -155.56 153.12 29.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.9 pp -154.66 137.15 15.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.42 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 3.8 mm -96.63 118.35 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -105.18 126.63 52.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 26.2 tttp -78.88 136.0 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.876 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 7.0 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.564 0.697 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 60' ' ' GLN . 53.7 Cg_endo -69.74 -37.7 8.86 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.724 2.282 . . . . 0.0 112.335 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.437 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 19.9 m-85 -144.47 166.11 26.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 75' ' ' ILE . 86.9 m -142.6 126.53 17.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 48' ' ' PHE . 12.3 tp -88.41 138.25 31.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 39' ' ' LEU . 57.4 t -124.48 98.02 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.23 117.4 25.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.748 ' CB ' HD22 ' A' ' 39' ' ' LEU . 45.5 t80 -83.31 118.84 23.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -105.96 -178.74 3.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -46.96 92.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' PHE . 7.4 mmmm 58.6 33.36 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -142.34 164.3 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.486 HG23 ' NE2' ' A' ' 40' ' ' HIS . 46.6 t -140.85 121.56 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -114.68 114.01 25.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 0.2 OUTLIER -101.34 97.1 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 63' ' ' THR . 17.8 mt -93.26 130.56 35.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 134.99 29.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.366 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.437 HG22 HD13 ' A' ' 88' ' ' LEU . 84.2 t -110.13 75.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -62.49 159.7 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -118.64 124.07 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.526 HD13 ' CE2' ' A' ' 97' ' ' TYR . 5.1 mp -102.17 99.39 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 82' ' ' ALA . 26.5 tt0 -61.23 -40.02 92.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.47 -37.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.1 p -134.34 6.23 3.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm 57.66 43.47 22.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -116.86 177.24 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 7.8 m-85 -134.81 135.82 42.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -125.6 157.13 37.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.437 HD13 HG22 ' A' ' 77' ' ' VAL . 4.0 mm? -96.72 135.05 39.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.897 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.526 ' CE2' HD13 ' A' ' 80' ' ' ILE . 5.2 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CD1' HG12 ' A' ' 104' ' ' ILE . 4.8 m-85 -131.32 162.2 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.37 -42.92 93.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.7 m -145.48 -177.53 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.864 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.21 -52.82 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.7 t -47.72 -37.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -62.51 -43.88 97.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.581 HG12 ' CD1' ' A' ' 98' ' ' PHE . 62.0 mt -49.74 -42.47 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.34 -46.88 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -59.07 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -47.35 -27.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 110' ' ' HIS . 2.9 m-70 -80.52 -42.31 22.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' HIS . 87.8 mt-30 -34.38 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' HIS . 11.9 m170 -98.17 -48.84 4.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 108' ' ' HIS . 13.4 m-80 -97.85 137.02 20.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 142.5 48.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.309 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.5 tp -89.7 89.84 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.419 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 77.7 t -38.72 136.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.419 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 35.0 p -101.09 162.99 12.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.8 t -159.91 141.45 12.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -89.1 131.77 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.531 HD22 ' CG ' ' A' ' 48' ' ' PHE . 20.6 mt -56.96 114.51 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -115.97 -42.45 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.54 ' CE2' ' HE3' ' A' ' 44' ' ' LYS . 12.1 m-85 -105.1 155.87 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -134.58 97.16 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 38' ' ' ALA . 55.1 t -87.3 130.73 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -113.99 104.61 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 34' ' ' SER . 9.8 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -46.44 88.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -54.77 -40.36 69.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 20' ' ' LEU . 37.9 tt0 -52.9 -36.26 59.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.04 80.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -89.05 20.47 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 17' ' ' GLU . 42.6 mt -129.58 -31.02 2.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.473 HD23 ' HE2' ' A' ' 26' ' ' TYR . 79.1 mt -60.67 124.09 19.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.85 -35.63 4.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -49.83 140.41 15.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -11.78 31.59 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.497 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 21.8 p-90 -105.17 -30.5 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 18.5 t80 -62.43 98.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.48 -11.8 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.512 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 71.56 -117.2 6.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.34 44.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.5 m -78.26 166.17 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.19 134.24 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.439 ' NH1' ' OE2' ' A' ' 36' ' ' GLU . 39.0 ttp85 -47.53 -38.02 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -58.45 -48.9 79.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.1 m -63.26 -35.4 80.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.723 ' HB1' HD21 ' A' ' 49' ' ' LEU . . . -59.07 -45.85 89.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 32' ' ' ARG . 76.8 mt-10 -67.62 -30.85 70.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.92 -49.78 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.464 ' HA ' ' NE ' ' A' ' 41' ' ' ARG . . . -65.0 -27.25 68.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.828 HD22 ' HB2' ' A' ' 67' ' ' PHE . 17.8 mt -81.28 -49.01 11.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.502 ' CE1' HG23 ' A' ' 72' ' ' VAL . 30.9 m-70 -62.79 -31.98 73.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' A' ' 38' ' ' ALA . 6.3 ptp180 -74.44 -29.95 61.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 t -58.33 -40.93 83.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 t30 53.16 34.05 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -128.05 83.23 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -38.09 118.77 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.96 -24.76 5.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.492 ' HB3' HG23 ' A' ' 132' ' ' VAL . 9.0 m -56.87 155.96 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.822 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 128' ' ' LEU . 24.5 p90 -157.49 162.85 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.723 HD21 ' HB1' ' A' ' 35' ' ' ALA . 2.4 pp -160.14 140.21 11.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 64' ' ' LEU . 21.5 mm -101.39 112.58 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -101.14 124.55 47.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 22.7 ttpt -68.65 141.94 55.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.901 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 5.9 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.544 0.688 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.46 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.75 -38.16 8.2 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 61' ' ' PRO . 14.1 m-85 -142.55 166.55 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.9 m -142.59 123.6 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.163 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.679 HD21 ' CD1' ' A' ' 113' ' ' LEU . 11.3 tp -87.2 129.82 34.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.33 102.02 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.0 119.27 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.828 ' HB2' HD22 ' A' ' 39' ' ' LEU . 66.7 t80 -82.8 118.0 23.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -104.47 177.9 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.45 92.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' PHE . 23.1 mmmt 62.12 38.11 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -151.19 167.42 27.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.502 HG23 ' CE1' ' A' ' 40' ' ' HIS . 47.2 t -143.81 120.6 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -113.61 111.55 22.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' O ' ' ND2' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -99.84 97.05 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.8 mt -89.83 127.49 53.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.508 ' CG ' ' NH1' ' A' ' 78' ' ' ARG . 53.5 Cg_endo -69.82 122.27 8.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.95 76.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH1' ' CG ' ' A' ' 76' ' ' PRO . 1.3 mpt_? -58.41 174.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -138.99 120.21 14.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.45 115.68 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -74.4 -39.07 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -37.47 -40.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.3 p -127.45 -8.05 5.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.26 37.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -109.98 -176.18 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.4 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.7 m-85 -127.76 156.6 42.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -149.27 154.59 39.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.21 140.08 29.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.541 ' CD1' HG12 ' A' ' 104' ' ' ILE . 48.7 m-85 -141.55 114.14 8.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -39.48 -39.58 1.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 m -148.7 168.75 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.7 -45.63 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.89 -35.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.72 -43.12 94.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.541 HG12 ' CD1' ' A' ' 98' ' ' PHE . 75.0 mt -52.55 -47.39 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.608 HG13 ' CD1' ' A' ' 128' ' ' LEU . 90.7 t -71.56 -46.52 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -54.04 -65.21 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.517 ' O ' ' CD2' ' A' ' 110' ' ' HIS . 1.9 m -47.41 -33.74 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 104' ' ' ILE . 4.9 m-70 -70.91 -33.85 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -40.22 -33.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 107' ' ' SER . 25.2 p80 -105.65 -46.84 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 107' ' ' SER . 2.1 p30 -87.9 141.04 31.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.747 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.95 49.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.679 ' CD1' HD21 ' A' ' 64' ' ' LEU . 2.6 tt -89.63 87.43 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.485 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.2 p -49.1 126.22 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 29.0 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.761 0.315 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.485 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.3 p -105.11 135.81 45.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.8 t -144.17 135.26 25.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -78.99 164.81 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.608 ' CD1' HG13 ' A' ' 105' ' ' VAL . 47.7 mt -91.79 107.5 19.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -106.67 -44.83 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 1.9 m-85 -105.82 150.63 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -127.56 97.47 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 47' ' ' SER . 85.0 t -78.86 121.15 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -105.99 102.72 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.435 ' CG2' HD22 ' A' ' 49' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -41.88 91.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -57.92 -34.79 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 20' ' ' LEU . 12.8 tt0 -57.33 -37.71 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.39 -41.11 62.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -88.39 18.53 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 17' ' ' GLU . 32.5 mt -126.48 -32.23 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.39 124.86 22.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.35 -32.32 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 59.1 mmtt -51.49 136.89 32.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.76 36.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.457 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 17.0 p-90 -94.02 -30.61 14.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 24.6 t80 -58.6 96.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -66.58 -14.32 62.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.51 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.5 -138.12 21.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.29 51.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.3 t -85.5 171.36 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.39 135.42 39.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 27.2 ttt180 -44.32 -40.11 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -57.64 -54.61 44.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.516 ' HB3' HG21 ' A' ' 134' ' ' VAL . 4.9 m -52.97 -39.63 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -56.98 -36.92 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -80.95 -39.78 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.47 -55.18 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.683 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -55.41 -24.59 31.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.771 HD22 ' HB2' ' A' ' 67' ' ' PHE . 27.3 mt -83.82 -51.03 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -58.38 -30.68 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 42' ' ' SER . 18.9 ptt180 -73.35 -30.86 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 7.9 t -59.19 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 t30 63.87 35.61 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' ASP . 22.1 mtpp -128.76 82.3 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' LYS . 1.1 p-10 -37.15 117.99 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.36 -16.47 6.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -62.08 156.51 21.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 20.7 p90 -157.0 156.51 33.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 49' ' ' LEU . 4.0 pp -162.35 130.92 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.558 HD13 ' HA ' ' A' ' 64' ' ' LEU . 9.1 mm -89.9 118.16 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.457 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 21.1 ptt180 -109.53 126.89 54.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -63.83 141.48 58.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.844 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.588 0.708 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.463 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.78 -40.15 5.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.463 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 19.1 m-85 -145.19 178.39 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.1 m -151.14 126.09 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.558 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.6 tp -82.82 136.9 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.418 HG21 ' HD3' ' A' ' 51' ' ' ARG . 21.8 t -122.91 100.21 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.19 115.27 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.771 ' HB2' HD22 ' A' ' 39' ' ' LEU . 48.6 t80 -83.32 118.69 23.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -104.29 177.48 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -47.02 91.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' PHE . 33.9 mmtm 60.54 38.07 19.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -149.4 157.0 42.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.2 t -130.98 123.76 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -114.56 117.67 31.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -97.81 102.25 13.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 63' ' ' THR . 34.6 mt -97.29 122.05 56.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 127.03 14.02 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.358 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.91 80.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -63.03 159.06 17.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 40.8 t80 -128.7 126.04 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.8 96.7 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' ALA . 3.6 tp10 -55.19 -40.83 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -37.38 -44.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 p -123.32 8.39 9.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 25.7 mmtm 53.61 38.52 28.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -107.4 -179.08 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.541 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.8 m-85 -127.52 156.9 41.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.884 ' C ' HD23 ' A' ' 88' ' ' LEU . . . -152.21 166.43 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.884 HD23 ' C ' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -108.88 166.95 10.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.428 179.875 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.458 ' O ' ' CG ' ' A' ' 98' ' ' PHE . 71.3 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.921 0.391 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.541 ' CD2' HG12 ' A' ' 104' ' ' ILE . 91.4 m-85 -159.07 115.83 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -37.2 -40.13 0.54 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.8 m -147.95 177.92 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.399 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.463 ' HA ' HD12 ' A' ' 104' ' ' ILE . 92.4 t -68.69 -42.04 82.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.53 -43.05 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -56.9 -37.64 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 86' ' ' TYR . 72.8 mt -58.77 -45.0 91.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.57 HG13 HD13 ' A' ' 128' ' ' LEU . 96.4 t -72.7 -50.79 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -57.8 -56.78 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -54.98 -23.22 18.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.736 ' CD2' HD22 ' A' ' 113' ' ' LEU . 2.0 m-70 -89.31 -35.23 16.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -37.61 -39.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -101.78 -50.87 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' HIS . 76.4 m-20 -77.85 138.39 61.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 143.64 51.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.736 HD22 ' CD2' ' A' ' 108' ' ' HIS . 9.7 tp -106.25 89.71 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.3 t -49.04 115.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.563 ' CD2' HD11 ' A' ' 75' ' ' ILE . 9.4 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.2 p -163.41 147.4 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.1 t -147.89 144.76 28.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -93.2 134.7 35.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.57 HD13 HG13 ' A' ' 105' ' ' VAL . 22.7 mt -56.93 113.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -112.55 -40.42 4.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 18.2 m-85 -111.78 159.42 18.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.75 96.41 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.11 133.07 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -113.34 103.58 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.683 HG23 ' HB2' ' A' ' 38' ' ' ALA . 1.8 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.22 -40.54 77.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.401 ' NE2' ' CE1' ' A' ' 86' ' ' TYR . 5.3 mm100 -60.22 -33.26 72.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.736 ' HA ' HD12 ' A' ' 20' ' ' LEU . 7.2 tt0 -59.42 -37.3 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.12 -44.12 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -87.0 22.54 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 17' ' ' GLU . 31.4 mt -129.3 -31.52 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.41 129.06 38.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.45 -33.82 5.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 69.6 mmtt -51.38 139.2 27.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -21.81 32.87 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.73 2.286 . . . . 0.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CZ3' HG13 ' A' ' 50' ' ' ILE . 26.7 p-90 -91.31 -15.22 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.514 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 37.7 t80 -74.26 97.56 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.931 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.87 -14.5 63.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.064 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.514 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.94 -158.17 46.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.14 42.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.727 0.298 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.6 p -73.87 -177.47 2.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' SER . 3.2 m-20 -106.02 139.92 39.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 32' ' ' ARG . 20.1 ttp-105 -37.22 -43.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -59.71 -45.07 93.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.901 ' HB3' HG21 ' A' ' 134' ' ' VAL . 4.6 m -63.12 -44.03 96.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.645 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -61.78 -47.85 83.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.599 ' HG2' HG11 ' A' ' 72' ' ' VAL . 50.4 mt-10 -65.94 -49.78 66.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -51.8 -58.95 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 41' ' ' ARG . . . -48.47 -28.88 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.716 HD22 ' CB ' ' A' ' 67' ' ' PHE . 36.7 mt -81.1 -57.8 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.418 ' CE1' HG23 ' A' ' 72' ' ' VAL . 26.9 m-70 -52.62 -31.72 38.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 38' ' ' ALA . 4.0 ptm180 -78.0 -27.59 49.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -67.89 -46.55 71.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 61.5 43.3 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.577 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 30.3 mttt -129.27 84.05 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.07 123.51 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.29 -21.32 10.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 m -56.75 160.21 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 26.6 p90 -160.22 160.64 32.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.931 HD13 ' HB2' ' A' ' 27' ' ' ALA . 2.4 pp -162.92 129.68 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.562 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 9.5 mm -86.84 118.36 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -104.27 131.91 51.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -83.23 135.43 34.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.601 0.715 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.88 9.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.456 ' CD2' HG21 ' A' ' 101' ' ' VAL . 12.9 m-85 -145.49 167.1 23.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 75' ' ' ILE . 69.7 m -142.74 121.75 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.192 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.6 tp -80.5 136.42 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 t -124.3 100.11 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.6 120.25 29.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.716 ' CB ' HD22 ' A' ' 39' ' ' LEU . 41.0 t80 -90.1 116.77 28.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.05 -173.89 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 3.3 m120 -49.31 86.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' PHE . 26.3 mmmt 64.83 24.97 12.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 2.1 mmp_? -127.21 164.41 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.599 HG11 ' HG2' ' A' ' 36' ' ' GLU . 82.7 t -139.79 122.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -118.93 113.24 20.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -97.93 100.68 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.623 ' O ' HG23 ' A' ' 63' ' ' THR . 27.1 mt -100.24 124.18 44.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.04 20.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.79 77.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -54.79 171.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -136.37 111.98 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.47 103.6 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 82' ' ' ALA . 25.6 tt0 -64.63 -35.9 82.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.79 -37.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 p -134.11 2.68 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 62.63 40.5 10.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -111.05 -175.93 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.47 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.1 m-85 -134.76 144.62 47.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -132.63 167.68 19.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -104.61 135.32 46.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.923 0.392 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CD2' HG12 ' A' ' 104' ' ' ILE . 90.1 m-85 -133.48 145.97 50.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.46 -37.18 92.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -154.19 173.8 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.456 HG21 ' CD2' ' A' ' 62' ' ' TYR . 90.2 t -64.03 -46.73 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.4 t -50.89 -40.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -59.29 -43.81 92.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.527 HG12 ' CD2' ' A' ' 98' ' ' PHE . 75.0 mt -51.89 -32.8 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.07 -41.68 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -64.74 -58.8 5.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -54.55 -26.9 34.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.512 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.8 OUTLIER -79.5 -40.12 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 108' ' ' HIS . 26.8 mt-30 -36.68 -42.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -99.77 -41.6 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -89.65 131.06 41.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.419 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 53.8 Cg_endo -69.74 142.45 48.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.392 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 108' ' ' HIS . 46.1 tp -101.8 84.17 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 89.5 t -33.61 128.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 14.9 p -108.4 145.97 33.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -147.16 138.59 24.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 24.5 mtm180 -89.86 131.33 35.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 26.7 mt -54.28 121.47 8.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -124.67 -35.34 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.577 ' CD2' ' HD3' ' A' ' 44' ' ' LYS . 2.1 m-85 -111.97 148.14 34.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.64 98.58 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 99.6 t -88.5 132.3 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -119.31 103.76 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.901 HG21 ' HB3' ' A' ' 34' ' ' SER . 13.8 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.09 -43.47 73.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -62.39 -43.12 99.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.741 ' HA ' HD12 ' A' ' 20' ' ' LEU . 6.2 tt0 -49.15 -42.65 40.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.15 -42.58 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -93.48 26.7 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.741 HD12 ' HA ' ' A' ' 17' ' ' GLU . 31.2 mt -130.4 -32.16 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.619 HD23 ' HE2' ' A' ' 26' ' ' TYR . 52.5 mt -61.86 127.08 29.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.91 -36.2 4.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.474 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -43.07 138.32 2.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -4.26 13.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -113.74 -24.75 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.619 ' HE2' HD23 ' A' ' 21' ' ' LEU . 32.9 t80 -66.7 98.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.649 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -66.15 -21.09 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 83.48 -124.91 6.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.27 39.55 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.4 162.32 27.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.43 165.34 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -61.36 -36.55 80.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.3 tttt -63.39 -61.91 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.643 ' HB3' HG11 ' A' ' 134' ' ' VAL . 15.1 m -43.13 -40.4 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.44 -41.34 93.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.25 -28.02 61.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.06 -58.81 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.67 -23.49 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.594 HD22 ' HB2' ' A' ' 67' ' ' PHE . 46.8 mt -86.79 -51.22 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -61.27 -30.22 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.9 ptt85 -72.28 -36.46 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 t -57.34 -45.52 84.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 61.42 40.81 13.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 34.3 mtpt -132.33 82.22 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -36.65 121.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.03 -26.22 5.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 m -51.62 159.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.635 ' CG ' HD22 ' A' ' 128' ' ' LEU . 24.4 p90 -161.16 151.41 17.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.649 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.9 pp -156.76 134.23 10.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.738 HD13 ' HA ' ' A' ' 64' ' ' LEU . 18.9 mm -91.76 126.56 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -115.22 127.61 55.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -67.81 140.49 56.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.575 0.703 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 60' ' ' GLN . 53.6 Cg_endo -69.73 -38.73 7.46 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -131.19 168.16 17.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 75' ' ' ILE . 85.6 m -142.75 128.65 19.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.738 ' HA ' HD13 ' A' ' 50' ' ' ILE . 8.4 tp -87.0 125.77 34.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.496 HG22 ' HB3' ' A' ' 74' ' ' ASN . 45.9 t -114.98 103.83 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.25 120.87 33.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.594 ' HB2' HD22 ' A' ' 39' ' ' LEU . 49.1 t80 -83.44 122.02 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -109.85 178.76 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -45.43 92.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' PHE . 34.1 mmtm 58.19 36.89 26.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HG2' ' C ' ' A' ' 70' ' ' LYS . 20.9 mmt85 -145.5 169.7 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.7 t -147.06 122.26 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -116.83 112.54 21.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.496 ' HB3' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -99.08 99.92 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 63' ' ' THR . 24.4 mt -94.12 127.6 44.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 120.85 7.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.362 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.472 HG12 ' HD2' ' A' ' 86' ' ' TYR . 95.6 t -83.6 79.81 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 -59.44 155.88 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -129.8 123.64 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 80' ' ' ILE . 4.5 mp -101.77 118.81 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 82' ' ' ALA . 49.3 tt0 -71.37 -37.39 71.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.94 -40.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 38.5 p -132.07 6.4 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.32 39.21 28.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 97' ' ' TYR . 30.8 mt-30 -110.85 176.37 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.546 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 51.0 m-85 -119.58 152.26 37.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.18 169.18 18.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.31 133.29 55.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.444 ' C ' ' OE1' ' A' ' 85' ' ' GLN . 94.0 m-85 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.913 0.387 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -110.82 157.51 19.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.62 -39.45 67.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.451 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.546 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.5 m -155.88 177.15 11.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.554 ' HA ' HD12 ' A' ' 104' ' ' ILE . 86.2 t -60.96 -48.89 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -49.21 -51.01 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -50.64 -44.8 57.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 101' ' ' VAL . 87.4 mt -51.14 -43.38 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.446 HG13 HD13 ' A' ' 128' ' ' LEU . 97.0 t -76.57 -55.12 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.43 ' HA ' ' CD ' ' A' ' 109' ' ' GLN . 34.6 m-20 -47.76 -51.49 22.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -64.7 -50.65 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.606 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -51.16 -44.66 61.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 108' ' ' HIS . 58.8 mt-30 -33.86 -40.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -99.97 -45.74 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -86.29 132.68 42.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.44 47.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.606 HD22 ' CD2' ' A' ' 108' ' ' HIS . 21.2 tp -113.92 92.87 4.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 113' ' ' LEU . 7.6 p -36.58 139.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.557 HD23 HD11 ' A' ' 75' ' ' ILE . 47.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.5 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.859 0.362 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 85.6 p -80.17 159.04 26.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.8 t -171.04 140.22 1.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -89.83 140.13 29.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.635 HD22 ' CG ' ' A' ' 48' ' ' PHE . 30.2 mt -59.74 114.51 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -112.27 -44.03 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.582 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.9 m-85 -109.25 154.1 22.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -128.26 94.86 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.6 102.56 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -94.16 111.25 22.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 34' ' ' SER . 1.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.791 0.329 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.0 -47.64 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -56.42 -37.5 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.65 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.1 tp10 -55.12 -40.14 70.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.35 -32.68 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -98.12 24.9 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 17' ' ' GLU . 39.6 mt -129.0 -30.59 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.713 HD23 ' HE2' ' A' ' 26' ' ' TYR . 51.0 mt -65.64 128.18 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.54 -33.35 6.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -45.16 138.65 4.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.25 15.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 25.9 p-90 -113.05 -25.2 9.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.713 ' HE2' HD23 ' A' ' 21' ' ' LEU . 23.5 t80 -66.32 95.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.732 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -69.51 -16.3 63.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.492 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.35 -149.26 35.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.76 46.8 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.312 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.5 t -83.4 163.39 20.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.02 141.22 58.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -50.42 -54.41 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -45.11 -57.13 4.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.54 ' HB3' HG21 ' A' ' 134' ' ' VAL . 66.9 m -50.61 -49.83 55.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.449 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -50.37 -46.55 56.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -69.34 -39.54 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -61.96 -59.58 4.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.19 -25.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.577 ' CD1' HG12 ' A' ' 65' ' ' VAL . 19.1 mt -88.31 -46.56 9.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -61.61 -29.01 69.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -71.83 -41.22 68.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -53.67 -52.41 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 68.75 42.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 37.9 mtpt -131.33 85.73 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.62 113.64 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.69 -24.7 3.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.488 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 4.4 m -51.66 154.3 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.796 ' HB3' HD22 ' A' ' 128' ' ' LEU . 20.7 p90 -153.6 156.93 38.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.775 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.3 pp -166.43 126.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 64' ' ' LEU . 11.0 mm -86.94 124.97 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -114.15 121.59 44.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 53' ' ' SER . 15.6 tttm -43.56 152.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' LYS . 7.9 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.571 0.701 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -35.86 11.94 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.516 ' CD2' HG21 ' A' ' 101' ' ' VAL . 50.1 m-85 -133.44 172.91 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.937 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 75' ' ' ILE . 60.1 m -145.58 145.72 31.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.648 ' HA ' HD13 ' A' ' 50' ' ' ILE . 21.5 tp -100.25 145.54 27.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.577 HG12 ' CD1' ' A' ' 39' ' ' LEU . 59.4 t -131.21 97.88 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.28 122.3 36.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -93.16 115.99 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.513 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -103.6 -171.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -47.35 95.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm 52.52 49.57 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.513 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 9.6 ptp180 -169.28 168.79 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.574 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 64.0 t -144.28 143.62 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -120.05 125.47 48.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -102.25 101.19 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.437 ' O ' HG23 ' A' ' 63' ' ' THR . 22.7 mt -104.1 122.94 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.698 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.695 2.264 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.5 t -83.88 80.26 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -58.78 170.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 7.6 t80 -145.71 118.78 8.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 80' ' ' ILE . 4.8 mp -90.18 128.76 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' ALA . 30.6 tt0 -78.12 -48.32 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -35.53 -37.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.4 p -125.09 -2.64 7.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 8.2 mmmm 55.63 41.89 30.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -114.19 169.38 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.465 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 59.0 m-85 -108.16 153.73 22.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.09 167.24 22.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.42 135.18 50.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.432 ' H ' HG22 ' A' ' 75' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.909 0.385 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.447 ' CD1' HG12 ' A' ' 104' ' ' ILE . 7.1 m-85 -120.2 163.86 17.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.05 -38.92 21.44 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.465 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.5 m -148.35 175.98 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.516 HG21 ' CD2' ' A' ' 62' ' ' TYR . 89.7 t -65.82 -45.37 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.067 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.5 t -51.55 -44.75 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -57.49 -43.81 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.547 ' O ' ' CG ' ' A' ' 108' ' ' HIS . 93.9 mt -54.38 -38.83 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.7 t -78.34 -54.63 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -49.99 -48.71 52.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -66.8 -42.9 85.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.798 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.6 OUTLIER -60.3 -39.54 87.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -37.92 -42.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.495 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 6.1 m80 -97.59 -51.76 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 108' ' ' HIS . 37.4 m-80 -80.69 134.49 53.86 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.64 0.733 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 144.04 52.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.798 HD22 ' CD2' ' A' ' 108' ' ' HIS . 43.8 tp -111.01 84.82 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.48 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 9.7 p -43.73 131.05 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 1.3 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.77 0.319 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 28.4 p -109.78 143.1 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.2 t -151.48 154.4 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 110' ' ' HIS . 10.9 mtm-85 -103.01 116.45 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.796 HD22 ' HB3' ' A' ' 48' ' ' PHE . 48.2 mt -41.69 111.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -112.59 -40.37 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.6 m-85 -110.05 145.34 37.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -122.51 95.08 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 93.0 t -98.33 116.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -104.54 131.34 52.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.732 HG12 ' HB1' ' A' ' 27' ' ' ALA . 6.0 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.332 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.32 -50.71 71.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -57.13 -38.08 72.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.672 ' HA ' HD12 ' A' ' 20' ' ' LEU . 5.9 tt0 -51.41 -41.76 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.74 -35.71 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.43 25.8 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 17' ' ' GLU . 39.3 mt -129.52 -31.68 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.815 HD23 ' HE2' ' A' ' 26' ' ' TYR . 28.5 mt -64.06 129.7 41.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.42 -34.56 5.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.521 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 26' ' ' TYR . 36.4 mmtt -48.79 140.9 10.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -19.35 36.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.544 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 29.0 p-90 -99.82 -24.85 14.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.815 ' HE2' HD23 ' A' ' 21' ' ' LEU . 28.3 t80 -70.07 94.64 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.552 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.22 -20.28 64.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.47 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 76.37 -149.27 36.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.51 47.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.4 m -90.38 159.42 16.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.02 158.28 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 21.0 ttm105 -66.1 -42.53 89.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -48.47 -58.35 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 m -57.07 -32.02 65.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -45.13 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -73.88 -39.04 64.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.29 -55.37 14.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' HG11 ' A' ' 132' ' ' VAL . . . -53.49 -25.24 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 67' ' ' PHE . 31.1 mt -85.52 -48.87 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.405 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 25.3 m-70 -61.49 -30.33 70.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.3 ptm180 -71.78 -33.81 68.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.467 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 14.4 t -60.78 -46.92 88.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 t30 64.81 37.52 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 12.1 mmmt -123.76 83.74 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.59 115.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.14 -19.76 6.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 m -53.37 152.65 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.658 ' HB3' HD22 ' A' ' 128' ' ' LEU . 26.9 p90 -149.21 151.29 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.8 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.5 pp -158.7 130.47 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.423 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 6.4 mm -87.92 135.43 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 51' ' ' ARG . 1.2 ptm85 -128.98 122.78 30.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -64.05 139.56 58.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.631 0.729 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -42.96 2.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.486 ' CD2' HG21 ' A' ' 101' ' ' VAL . 44.7 m-85 -140.61 168.49 19.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 75' ' ' ILE . 22.4 m -143.33 122.76 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.461 ' CD2' ' CD1' ' A' ' 113' ' ' LEU . 25.5 tp -81.89 141.49 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 24.5 t -125.14 97.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.56 119.33 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.477 ' HB2' HD22 ' A' ' 39' ' ' LEU . 62.0 t80 -88.91 116.52 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.21 -176.03 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.468 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 34.8 p-10 -48.15 87.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 68' ' ' PHE . 30.5 mmtp 64.24 32.58 12.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -142.59 163.94 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 59.0 t -137.67 122.65 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.16 118.18 35.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -96.71 104.48 16.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.488 HD11 HD23 ' A' ' 115' ' ' LEU . 42.3 mt -103.97 120.88 49.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 118.67 5.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.9 t -89.03 83.71 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 mtt85 -65.75 163.92 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 31.9 t80 -131.03 130.63 43.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.9 126.24 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' ALA . 34.8 tt0 -73.91 -41.6 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.37 -53.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 p -117.71 8.54 12.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 26.7 mmtm 50.75 42.32 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -111.82 -178.15 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.514 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 33.6 m-85 -122.97 151.83 41.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.869 ' C ' HD23 ' A' ' 88' ' ' LEU . . . -143.57 172.26 13.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.869 HD23 ' C ' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -109.48 163.01 13.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.891 0.376 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD2' HG12 ' A' ' 104' ' ' ILE . 78.4 m-85 -142.84 120.08 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.58 -44.29 0.43 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.514 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.6 m -154.49 179.94 8.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.486 HG21 ' CD2' ' A' ' 62' ' ' TYR . 89.9 t -61.57 -52.18 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.181 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.533 HG12 ' ND2' ' A' ' 106' ' ' ASN . 84.4 t -49.04 -40.24 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -59.97 -43.52 95.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 98' ' ' PHE . 68.4 mt -51.77 -33.97 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.42 HG13 ' CD1' ' A' ' 128' ' ' LEU . 92.3 t -86.25 -50.33 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.533 ' ND2' HG12 ' A' ' 102' ' ' VAL . 25.9 m-20 -50.65 -51.96 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.72 -45.2 83.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 1.6 m-70 -54.06 -38.89 65.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' HIS . 55.6 mt-30 -34.32 -36.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 108' ' ' HIS . 21.4 m170 -97.58 -53.6 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -81.81 128.33 69.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 139.17 39.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.351 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.461 ' CD1' ' CD2' ' A' ' 64' ' ' LEU . 2.1 tt -86.01 89.86 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 124' ' ' ASP . 5.4 p -51.99 116.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.488 HD23 HD11 ' A' ' 75' ' ' ILE . 18.3 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 114' ' ' VAL . 1.1 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.2 p -170.31 151.78 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.2 t -164.83 142.41 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 -94.38 138.02 32.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.658 HD22 ' HB3' ' A' ' 48' ' ' PHE . 32.4 mt -60.84 106.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -112.38 -43.82 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.568 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 1.9 m-85 -103.75 148.02 26.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.88 100.55 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 38' ' ' ALA . 85.6 t -88.05 147.04 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -121.45 144.68 48.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.784 0.326 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.5 -47.71 75.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -57.57 -42.65 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 20' ' ' LEU . 33.6 tt0 -42.96 -42.17 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.37 -41.24 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -84.19 16.6 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 17' ' ' GLU . 30.0 mt -127.22 -32.52 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.41 HD23 ' HE2' ' A' ' 26' ' ' TYR . 62.2 mt -59.57 136.48 58.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 -32.62 6.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -51.58 139.1 29.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -11.25 30.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.584 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 33.7 p-90 -106.79 -27.26 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 30.0 t80 -68.03 98.94 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.512 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -72.4 -16.16 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.466 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 83.68 -115.95 4.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.14 45.07 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.727 0.299 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.0 m -83.3 151.58 25.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -76.11 133.23 40.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -40.39 -40.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -51.67 -61.83 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -55.97 -35.12 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.521 ' HB1' HD21 ' A' ' 49' ' ' LEU . . . -62.84 -41.91 99.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -70.7 -34.02 71.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -68.87 -58.87 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.72 -24.94 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.401 HD22 ' CB ' ' A' ' 67' ' ' PHE . 20.1 mt -84.63 -47.32 10.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.96 -29.87 69.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 42' ' ' SER . 4.7 ptm180 -74.83 -33.98 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.477 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 41.4 t -59.32 -49.73 76.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.29 45.21 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.459 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 37.4 mttp -133.54 83.05 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.11 114.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 130.7 -20.74 4.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 m -56.34 150.51 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.788 ' HB3' HD22 ' A' ' 128' ' ' LEU . 27.7 p90 -151.49 151.88 32.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.703 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.9 pp -157.44 127.08 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 64' ' ' LEU . 20.7 mm -85.17 126.92 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -118.41 124.67 48.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -61.42 141.06 57.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.576 0.703 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -47.65 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.238 . . . . 0.0 112.371 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -130.05 -179.03 4.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.4 m -149.99 135.02 17.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD21 HD11 ' A' ' 113' ' ' LEU . 15.7 tp -91.03 147.84 22.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.593 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 43.7 t -133.65 97.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.77 118.11 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CB ' HD22 ' A' ' 39' ' ' LEU . 12.9 t80 -88.03 117.55 26.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.501 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 1.1 t80 -109.85 -177.88 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' PHE . 3.8 t-20 -34.54 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm 42.14 52.31 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 11.1 ptm180 -164.85 170.63 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.593 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 34.8 t -140.86 134.21 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.41 121.97 46.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.41 92.08 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.45 HG22 ' H ' ' A' ' 89' ' ' GLY . 18.9 mt -94.59 117.37 66.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 121.02 7.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.5 t -88.53 103.92 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 78' ' ' ARG . 9.9 mtm105 -84.22 158.84 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -126.67 100.57 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.428 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.2 mp -76.12 88.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -46.86 -43.52 18.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.7 -39.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.3 p -118.05 4.78 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 50.8 40.78 25.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.443 ' CD ' ' HB3' ' A' ' 97' ' ' TYR . 23.9 mt-30 -124.13 176.09 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.639 ' CB ' HD11 ' A' ' 104' ' ' ILE . 85.3 m-85 -113.9 155.34 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.523 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -135.8 169.62 17.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.523 HD22 ' C ' ' A' ' 87' ' ' ALA . 4.0 mm? -117.83 137.51 52.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.45 ' H ' HG22 ' A' ' 75' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.443 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 35.4 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.952 0.406 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.536 ' CD1' HG12 ' A' ' 104' ' ' ILE . 43.9 m-85 -93.42 113.85 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.14 -43.67 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 m -143.77 174.61 10.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 104' ' ' ILE . 94.5 t -62.11 -48.86 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.0 t -49.54 -44.64 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -54.24 -41.17 68.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.639 HD11 ' CB ' ' A' ' 86' ' ' TYR . 76.3 mt -52.85 -47.89 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 99.5 t -69.32 -45.89 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 109' ' ' GLN . 26.6 m-20 -56.42 -69.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -39.94 -33.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-70 -73.04 -39.03 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 106' ' ' ASN . 96.4 mt-30 -36.07 -35.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -101.11 -57.63 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' HIS . 64.6 m-20 -76.01 141.25 71.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.73 41.01 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.381 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 115' ' ' LEU . 2.4 tt -88.28 101.42 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.42 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 9.6 p -60.85 134.4 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 113' ' ' LEU . 19.0 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 89.5 p -104.95 142.92 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.9 t -150.17 134.88 17.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -79.08 143.16 35.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.788 HD22 ' HB3' ' A' ' 48' ' ' PHE . 83.9 mt -70.83 103.87 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -107.05 -44.16 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.459 ' CD2' ' HD3' ' A' ' 44' ' ' LYS . 3.3 m-85 -101.0 150.42 22.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -133.58 105.24 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 90.6 t -94.2 116.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -99.84 97.7 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 134' ' ' VAL . 1.5 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.82 0.343 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -56.77 15.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -45.98 -47.12 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.943 ' HA ' HD12 ' A' ' 20' ' ' LEU . 56.8 tt0 -47.76 -38.4 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.79 -39.34 62.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.25 28.8 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.943 HD12 ' HA ' ' A' ' 17' ' ' GLU . 19.0 mt -129.65 -31.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.64 126.15 26.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.94 -31.98 6.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 34.0 mmtt -54.9 139.09 63.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.04 31.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.457 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 27.9 p-90 -88.57 -23.72 23.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.523 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 36.9 t80 -69.35 96.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.722 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.42 -17.61 64.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 73.28 -142.51 31.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.25 43.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 111.055 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 t -82.35 160.2 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -59.75 136.38 57.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.474 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 56.9 ttp85 -53.43 -39.22 64.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -62.44 -42.67 99.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.25 -40.9 91.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -51.72 -50.74 59.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -67.1 -39.54 86.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -60.6 -61.79 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.734 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -44.03 -26.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD1' HG12 ' A' ' 65' ' ' VAL . 29.1 mt -87.23 -51.37 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -54.37 -29.11 47.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -77.33 -33.97 55.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -60.93 -49.76 76.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 64.29 45.1 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HD2' ' CE1' ' A' ' 130' ' ' TYR . 21.2 mtmm -134.65 85.04 2.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.36 125.52 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.21 -23.33 8.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 m -55.41 158.83 3.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.831 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.607 ' HB3' HD22 ' A' ' 128' ' ' LEU . 34.5 p90 -159.48 156.97 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.722 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.8 pp -161.6 134.63 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.445 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 16.0 mm -92.04 124.87 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 19.5 ptt180 -116.38 133.83 55.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -70.89 141.16 51.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.866 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -38.14 8.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -144.1 175.34 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 75' ' ' ILE . 62.7 m -145.39 129.51 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.586 ' CD2' HD11 ' A' ' 113' ' ' LEU . 51.6 tp -81.92 146.39 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.602 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 64.2 t -132.46 96.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.89 121.72 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.616 ' HD1' HG22 ' A' ' 72' ' ' VAL . 44.2 t80 -91.76 116.23 28.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 124' ' ' ASP . 0.6 OUTLIER -103.58 -173.74 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -44.59 99.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm 47.78 51.52 14.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 16.1 ptt180 -169.75 162.78 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.616 HG22 ' HD1' ' A' ' 67' ' ' PHE . 21.4 t -136.33 135.81 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -116.01 122.45 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -97.79 97.68 9.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 63' ' ' THR . 15.9 mt -96.66 131.08 28.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.657 0.741 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 133.16 24.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.4 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.7 t -104.97 79.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.07 140.76 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.44 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 16.6 t80 -99.55 112.87 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.561 HG13 ' CE2' ' A' ' 97' ' ' TYR . 9.1 mm -73.94 80.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -55.47 -40.19 71.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.23 -48.24 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.5 p -119.36 14.68 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER 53.3 41.64 32.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.429 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 75.2 mt-30 -113.2 -174.83 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.578 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 13.7 m-85 -140.91 136.79 32.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.85 ' C ' HD23 ' A' ' 88' ' ' LEU . . . -137.24 165.27 26.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.892 ' N ' HD23 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -107.1 162.43 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE2' HG13 ' A' ' 80' ' ' ILE . 3.7 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.905 0.384 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.546 ' CD1' HG12 ' A' ' 104' ' ' ILE . 12.3 m-85 -131.38 171.96 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.72 -29.53 35.11 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.578 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 2.2 m -156.82 172.22 19.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.751 ' HA ' HD12 ' A' ' 104' ' ' ILE . 94.4 t -57.96 -53.28 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.9 t -48.71 -43.77 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.99 -42.51 76.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 101' ' ' VAL . 44.8 mt -49.92 -45.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.409 HG13 ' CZ ' ' A' ' 48' ' ' PHE . 98.5 t -72.6 -45.29 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 109' ' ' GLN . 24.4 m-20 -63.8 -67.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -41.98 -28.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-70 -81.18 -36.26 30.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 106' ' ' ASN . 95.7 mt-30 -34.88 -36.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 108' ' ' HIS . 12.1 m-70 -100.69 -53.14 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 108' ' ' HIS . 30.2 m-20 -79.82 138.44 53.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.49 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 53.4 Cg_endo -69.76 140.28 42.29 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.401 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.586 HD11 ' CD2' ' A' ' 64' ' ' LEU . 2.4 tt -85.38 98.0 10.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.6 p -56.75 130.35 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.6 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.3 p -84.51 134.44 34.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 t -146.58 128.53 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.149 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 23.3 mtt180 -75.94 143.94 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' A' ' 48' ' ' PHE . 41.8 mt -71.71 120.93 17.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -122.82 -42.83 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.418 ' CE1' ' HD2' ' A' ' 44' ' ' LYS . 27.7 m-85 -101.74 149.4 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.3 98.02 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 86.7 t -83.36 139.44 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.93 99.65 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.734 HG23 ' HB2' ' A' ' 38' ' ' ALA . 3.1 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.6 -47.98 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.32 -34.42 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' A' ' 20' ' ' LEU . 38.9 tt0 -56.5 -42.63 78.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.19 -40.8 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -81.65 12.81 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 17' ' ' GLU . 26.8 mt -125.39 -27.73 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.99 124.84 21.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.72 -36.14 4.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -41.95 136.41 2.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -7.13 20.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 15.3 p-90 -110.14 -29.99 7.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 28.5 t80 -59.44 94.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -64.79 -21.21 66.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.528 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 78.2 -152.0 37.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.18 44.5 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.9 p -70.07 179.77 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 32' ' ' ARG . 4.8 m-20 -101.01 131.63 46.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ASP . 61.1 ttp85 -34.9 -42.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -61.55 -62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.753 ' HB3' HG21 ' A' ' 134' ' ' VAL . 10.1 m -45.71 -47.64 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.509 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -50.96 -41.93 59.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.155 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' HG2' HG11 ' A' ' 72' ' ' VAL . 49.0 mt-10 -72.21 -40.75 67.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.83 -61.64 2.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -46.42 -23.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.804 HD22 ' HB2' ' A' ' 67' ' ' PHE . 17.2 mt -87.69 -45.9 9.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 27.6 m-70 -64.41 -31.17 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -71.61 -34.65 70.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 t -64.34 -50.82 66.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 t30 64.6 49.05 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.594 ' HD2' ' CD2' ' A' ' 130' ' ' TYR . 20.9 mttt -134.07 93.21 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.455 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 4.6 t0 -51.5 99.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.62 -13.73 2.0 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.3 m -67.69 157.64 34.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.814 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.814 ' CG ' HD22 ' A' ' 128' ' ' LEU . 35.3 p90 -153.25 148.19 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.5 pp -152.59 133.25 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.536 HD13 ' HA ' ' A' ' 64' ' ' LEU . 23.1 mm -93.02 128.31 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.425 ' NH1' ' HG3' ' A' ' 32' ' ' ARG . 19.5 ptt180 -114.65 116.8 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.15 135.07 51.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.873 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.576 0.703 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -38.77 7.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD2' HG21 ' A' ' 101' ' ' VAL . 24.4 m-85 -148.86 174.81 11.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.474 HG23 ' HA ' ' A' ' 76' ' ' PRO . 11.8 m -145.35 117.31 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.86 HD21 HD11 ' A' ' 113' ' ' LEU . 19.4 tp -81.79 133.3 35.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.3 101.2 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.56 112.96 24.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.804 ' HB2' HD22 ' A' ' 39' ' ' LEU . 82.6 t80 -80.18 132.27 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.1 t80 -120.0 168.93 10.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.455 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 25.7 t30 -38.11 92.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' PHE . 19.6 mmtp 59.74 46.33 11.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 49.9 mtp85 -156.85 161.14 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.49 HG11 ' HG2' ' A' ' 36' ' ' GLU . 60.6 t -138.1 120.47 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -114.79 105.27 12.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 74' ' ' ASN . 0.7 OUTLIER -93.82 95.95 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.631 HD11 ' CD2' ' A' ' 115' ' ' LEU . 13.3 mt -87.75 124.32 67.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.474 ' HA ' HG23 ' A' ' 63' ' ' THR . 53.6 Cg_endo -69.75 121.11 7.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 77' ' ' VAL . 96.5 t -89.44 75.36 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -58.46 145.89 37.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -113.13 111.77 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.467 HD12 ' N ' ' A' ' 80' ' ' ILE . 3.7 mp -86.67 118.94 33.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 83' ' ' THR . 10.8 tm-20 -72.65 -53.39 11.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -32.35 -35.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 81' ' ' GLU . 18.5 p -127.43 0.3 6.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' ILE . 21.8 mmmt 51.15 37.81 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -111.07 179.18 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 51.7 m-85 -122.62 132.4 54.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.45 153.56 40.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.17 134.24 34.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.933 0.397 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 104' ' ' ILE . 10.0 m-85 -126.54 116.84 21.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -37.34 -37.58 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.556 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 3.2 m -149.24 170.21 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.953 0.406 . . . . 0.0 110.805 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.506 HG21 ' CD2' ' A' ' 62' ' ' TYR . 84.8 t -60.32 -56.25 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.8 t -40.76 -47.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.65 -46.12 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.576 ' HA ' ' CD2' ' A' ' 98' ' ' PHE . 66.4 mt -48.74 -41.6 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.46 HG13 HD13 ' A' ' 128' ' ' LEU . 95.6 t -74.53 -41.29 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 109' ' ' GLN . 43.1 m-20 -64.3 -67.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -40.58 -32.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 104' ' ' ILE . 5.2 m-70 -72.38 -39.27 68.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 106' ' ' ASN . 97.3 mt-30 -35.25 -34.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' HIS . 55.2 m-70 -100.33 -58.11 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -80.33 140.49 52.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 138.18 37.35 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.744 2.296 . . . . 0.0 112.321 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.86 HD11 HD21 ' A' ' 64' ' ' LEU . 2.4 tt -78.16 91.19 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.475 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.6 p -57.49 119.72 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.631 ' CD2' HD11 ' A' ' 75' ' ' ILE . 22.7 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 55.3 p -96.06 133.01 40.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.2 t -140.05 133.1 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 -78.64 144.29 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.814 HD22 ' CG ' ' A' ' 48' ' ' PHE . 93.0 mt -69.58 107.03 3.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -113.97 -39.16 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 2.2 m-85 -106.36 149.33 27.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -128.64 97.44 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 38' ' ' ALA . 96.7 t -100.73 105.03 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -98.5 131.54 44.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 34' ' ' SER . 4.1 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.76 0.314 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.76 -39.73 64.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -60.78 -44.85 96.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 20' ' ' LEU . 21.8 tt0 -42.8 -33.91 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.89 84.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -83.05 13.03 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 17' ' ' GLU . 35.3 mt -121.17 -32.11 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.676 HD23 ' HE2' ' A' ' 26' ' ' TYR . 86.1 mt -62.92 133.62 54.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.04 -32.96 6.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -50.04 139.95 17.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -21.56 33.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -92.18 -28.95 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.676 ' HE2' HD23 ' A' ' 21' ' ' LEU . 20.3 t80 -62.9 91.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.751 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -62.72 -22.68 66.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.07 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.486 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 79.83 -154.5 37.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.54 74.93 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -112.63 169.49 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.2 t0 -69.6 150.82 46.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 54.8 ttt-85 -60.99 -38.76 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -64.93 -51.69 60.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.434 ' C ' HG21 ' A' ' 134' ' ' VAL . 14.7 m -49.05 -52.54 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.78 -52.26 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.58 -49.55 77.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -54.68 -56.33 20.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.719 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -47.07 -26.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.705 HD22 ' HB2' ' A' ' 67' ' ' PHE . 24.8 mt -88.49 -51.84 5.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -55.7 -28.38 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -74.44 -39.84 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -58.42 -50.66 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 t30 65.65 44.47 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' ASP . 28.4 mtmm -133.85 83.84 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -36.74 126.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.38 -27.82 6.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 m -52.61 152.65 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.704 ' HB3' HD22 ' A' ' 128' ' ' LEU . 35.2 p90 -150.26 158.61 44.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.6 pp -160.81 133.99 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.509 HD13 ' HA ' ' A' ' 64' ' ' LEU . 22.1 mm -95.29 122.1 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -112.85 129.82 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -65.97 142.09 57.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.874 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.464 ' HB3' HE21 ' A' ' 60' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.56 0.695 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.29 4.32 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -141.7 171.89 13.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.1 m -141.29 119.52 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 50' ' ' ILE . 27.7 tp -76.76 141.65 40.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.02 98.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.64 124.79 34.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.705 ' HB2' HD22 ' A' ' 39' ' ' LEU . 74.0 t80 -90.72 114.97 27.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.29 -176.01 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 69' ' ' ASN . 16.4 p30 -49.39 87.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 68' ' ' PHE . 23.9 mmmt 62.33 39.46 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.6 mtp85 -149.37 160.21 43.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.1 t -132.65 121.56 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -113.0 116.52 30.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.96 100.56 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.74 HD11 HD23 ' A' ' 115' ' ' LEU . 23.7 mt -96.55 126.8 42.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.84 12.62 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 77' ' ' VAL . 97.4 t -94.13 76.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -59.37 146.23 40.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 2.1 t80 -116.12 121.79 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -75.71 144.23 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -102.81 -52.11 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.1 -35.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.2 p -130.47 19.94 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 38.82 48.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.455 ' OE1' ' CG ' ' A' ' 97' ' ' TYR . 80.1 mt-30 -109.29 -174.81 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 72.0 m-85 -127.5 161.95 27.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.61 -175.54 5.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 89' ' ' GLY . 2.5 mp -129.79 173.22 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.455 ' CG ' ' OE1' ' A' ' 85' ' ' GLN . 56.4 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.878 0.371 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.583 ' CD1' HG12 ' A' ' 104' ' ' ILE . 12.7 m-85 -131.21 112.23 12.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -38.43 -34.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.551 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 3.1 m -148.62 177.4 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.896 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.8 t -67.48 -45.45 85.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.192 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.6 t -50.26 -46.29 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -53.14 -39.7 63.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.583 HG12 ' CD1' ' A' ' 98' ' ' PHE . 83.0 mt -54.13 -41.85 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.1 t -80.67 -49.09 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -52.72 -51.75 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.12 -44.14 89.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.4 OUTLIER -57.78 -41.62 82.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' HIS . 22.8 mt-30 -34.43 -45.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -93.49 -58.68 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -72.0 133.24 84.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.14 49.95 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.516 HD22 ' CD2' ' A' ' 108' ' ' HIS . 45.3 tp -107.4 86.22 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.442 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 6.0 p -39.06 141.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 75' ' ' ILE . 8.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.529 ' O ' HD12 ' A' ' 115' ' ' LEU . 26.6 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.442 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.2 p -93.03 134.86 34.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.7 t -144.96 146.16 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -93.19 141.36 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' A' ' 48' ' ' PHE . 61.9 mt -64.97 117.97 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -118.2 -42.04 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.471 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 12.1 m-85 -108.62 155.54 20.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.11 99.02 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.3 t -90.9 139.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -114.8 118.65 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.751 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.0 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -55.61 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -44.3 -43.23 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HA ' HD12 ' A' ' 20' ' ' LEU . 8.2 tt0 -48.68 -39.7 25.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.12 -42.52 63.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -92.3 20.85 5.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 17' ' ' GLU . 33.9 mt -125.5 -30.85 3.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.702 HD23 ' HE2' ' A' ' 26' ' ' TYR . 75.7 mt -63.46 126.93 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.57 -32.9 6.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -48.27 141.99 8.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.59 31.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -94.62 -27.51 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.702 ' HE2' HD23 ' A' ' 21' ' ' LEU . 34.1 t80 -65.35 95.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.34 -17.2 63.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.526 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 78.2 -151.45 36.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.22 46.21 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 p -70.03 -178.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' ARG . 1.9 m-20 -101.04 136.57 40.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' ASP . 65.6 ttt180 -36.34 -45.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -64.99 -62.76 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -49.21 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.19 -52.51 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.44 -43.3 96.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.59 -47.57 85.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.89 -28.55 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.67 HD22 ' CB ' ' A' ' 67' ' ' PHE . 30.6 mt -82.71 -56.24 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.569 ' CE1' HG23 ' A' ' 72' ' ' VAL . 39.7 m-70 -56.83 -33.32 66.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -70.95 -35.29 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -61.32 -49.14 78.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t30 66.06 42.39 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -129.55 83.72 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.92 130.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.92 -24.05 20.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.484 ' HB3' HG23 ' A' ' 132' ' ' VAL . 22.9 m -52.17 153.92 2.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 34.6 p90 -154.07 156.91 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.827 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.3 pp -160.09 135.34 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.2 mm -92.1 123.33 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -114.8 123.44 49.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -61.09 140.07 57.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.449 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.77 -44.65 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.376 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 14.2 m-85 -138.24 177.51 7.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 75' ' ' ILE . 95.3 m -147.39 138.15 23.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.2 tp -94.65 140.23 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 39' ' ' LEU . 60.0 t -127.31 98.86 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.04 115.32 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.67 ' CB ' HD22 ' A' ' 39' ' ' LEU . 50.9 t80 -83.56 114.95 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -101.29 177.65 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -44.21 90.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' PHE . 12.9 mmmt 59.98 40.28 19.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -146.85 167.24 24.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 40' ' ' HIS . 40.9 t -145.91 117.79 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -109.36 127.06 54.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -105.27 100.98 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.675 ' O ' HG23 ' A' ' 63' ' ' THR . 28.5 mt -100.66 124.99 40.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.643 0.735 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.19 17.14 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.568 HG12 ' HD2' ' A' ' 86' ' ' TYR . 58.0 t -100.24 78.58 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -62.71 164.65 7.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.402 ' HD2' ' CE1' ' A' ' 86' ' ' TYR . 31.8 t80 -131.97 119.82 21.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -93.21 122.52 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -76.54 -36.35 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -38.71 -38.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.4 p -131.26 5.89 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 55.79 39.17 30.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.438 ' CD ' ' HB3' ' A' ' 97' ' ' TYR . 31.5 mt-30 -114.36 177.74 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.675 ' HB3' HD11 ' A' ' 104' ' ' ILE . 36.1 m-85 -115.95 152.59 33.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -139.29 148.69 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.088 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 88' ' ' LEU . 3.9 mm? -95.45 137.07 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.438 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 89.5 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.909 0.385 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 104' ' ' ILE . 71.9 m-85 -122.13 122.2 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -35.56 -40.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.561 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 1.9 m -162.26 177.05 9.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.97 0.414 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.0 t -57.1 -43.95 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.24 -40.67 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -46.35 91.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.675 HD11 ' HB3' ' A' ' 86' ' ' TYR . 96.4 mt -48.76 -54.15 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.44 -54.87 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -45.9 -63.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -57.51 -36.94 72.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -61.74 -41.16 97.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 108' ' ' HIS . 97.5 mt-30 -35.85 -43.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -99.03 -40.86 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -86.63 128.68 55.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.04 52.88 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' VAL . 28.4 tp -104.8 88.65 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 88.8 t -33.77 119.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 3.6 p -48.02 146.28 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -152.06 143.15 23.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -90.52 132.12 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 27.7 mt -54.59 121.25 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -120.88 -41.58 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -108.91 152.9 24.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -126.09 94.15 4.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' A' ' 47' ' ' SER . 85.1 t -80.92 145.11 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -123.81 150.51 44.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.795 0.331 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.12 -47.83 17.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -60.42 -39.11 86.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.655 ' HA ' HD12 ' A' ' 20' ' ' LEU . 21.0 tt0 -51.89 -41.36 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.49 66.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -95.39 19.42 10.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 17' ' ' GLU . 26.1 mt -121.48 -32.86 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.455 HD23 ' CE2' ' A' ' 26' ' ' TYR . 84.5 mt -64.89 130.13 42.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.84 -35.77 4.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 56.1 mmtt -43.07 137.99 2.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.558 0.694 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -5.15 15.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.469 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 24.2 p-90 -111.06 -22.48 11.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.529 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 44.1 t80 -66.38 98.06 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.877 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.31 -20.17 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.529 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 72.62 -167.46 53.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.82 75.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 111.084 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.24 161.62 20.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -75.84 150.33 37.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -52.22 -42.94 63.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -51.41 -60.22 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.709 ' HB3' HG21 ' A' ' 134' ' ' VAL . 14.7 m -47.87 -50.4 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.39 75.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.471 ' HG2' HG11 ' A' ' 72' ' ' VAL . 35.3 mt-10 -65.97 -37.66 86.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -65.36 -58.05 6.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -25.43 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 67' ' ' PHE . 50.5 mt -84.85 -54.24 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.451 ' NE2' HG23 ' A' ' 72' ' ' VAL . 25.7 m-70 -56.69 -30.69 63.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.0 ptm180 -71.67 -31.8 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 9.9 t -64.19 -51.52 63.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 t30 67.09 39.91 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.562 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 29.3 mtmt -134.9 88.25 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.474 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -42.81 115.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 134.74 -22.12 3.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.9 m -60.56 147.23 42.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.727 ' HB3' HD22 ' A' ' 128' ' ' LEU . 34.5 p90 -143.14 159.77 41.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.877 HD13 ' HB2' ' A' ' 27' ' ' ALA . 1.3 pp -167.48 127.28 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.65 HD13 ' HA ' ' A' ' 64' ' ' LEU . 19.9 mm -90.19 133.03 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -118.59 124.78 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' SER . 20.0 ttmm -63.03 135.7 57.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' LYS . 54.6 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.57 0.7 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 53.8 Cg_endo -69.8 -36.25 11.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.518 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 22.0 m-85 -148.82 176.81 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.605 ' HA ' HG23 ' A' ' 77' ' ' VAL . 95.2 m -148.87 131.03 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.65 ' HA ' HD13 ' A' ' 50' ' ' ILE . 10.3 tp -91.73 131.02 37.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.8 t -118.03 103.1 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.46 115.65 28.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.573 ' CB ' HD22 ' A' ' 39' ' ' LEU . 37.1 t80 -83.58 133.21 34.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -121.07 166.81 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.474 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 11.1 t-20 -37.09 93.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' PHE . 4.6 mmmm 58.68 47.47 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 87.7 mtt-85 -155.47 171.48 19.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.471 HG11 ' HG2' ' A' ' 36' ' ' GLU . 60.2 t -150.06 119.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -113.84 118.98 35.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -100.33 97.89 8.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.83 HD11 HD23 ' A' ' 115' ' ' LEU . 22.8 mt -92.03 126.24 53.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.65 23.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' HA ' ' A' ' 63' ' ' THR . 47.7 t -103.29 79.8 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -69.11 145.63 53.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 50.8 t80 -110.67 126.75 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.556 HG12 ' CE2' ' A' ' 97' ' ' TYR . 5.3 mp -95.31 112.81 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' ALA . 26.6 tt0 -67.95 -39.08 83.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -36.3 -47.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' LYS . 22.7 p -132.81 31.68 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 9.3 mmpt? 36.76 44.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -106.68 175.37 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.58 ' HB3' HD11 ' A' ' 104' ' ' ILE . 50.6 m-85 -124.39 143.17 50.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.464 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -132.36 164.43 26.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.542 ' CD1' HG22 ' A' ' 77' ' ' VAL . 4.0 mm? -118.79 149.07 42.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.556 ' CE2' HG12 ' A' ' 80' ' ' ILE . 2.6 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.901 0.381 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CD1' HG12 ' A' ' 104' ' ' ILE . 14.7 m-85 -123.57 168.36 12.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.79 -37.85 66.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.569 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 2.5 m -155.25 174.91 14.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.424 HG23 ' CE2' ' A' ' 86' ' ' TYR . 91.7 t -59.7 -53.03 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.2 t -45.87 -46.57 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.64 -47.32 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.581 HG12 ' CD1' ' A' ' 98' ' ' PHE . 96.1 mt -46.5 -43.89 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 128' ' ' LEU . 94.2 t -77.72 -55.87 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -42.46 -54.23 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.26 -49.39 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -50.15 -40.51 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' HIS . 73.4 mt-30 -37.04 -42.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.43 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 72.7 m-70 -101.15 -43.64 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.441 ' C ' ' HG2' ' A' ' 127' ' ' ARG . 3.7 m-20 -81.09 134.32 52.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.15 44.34 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.536 ' CD2' HD21 ' A' ' 64' ' ' LEU . 41.4 tp -110.3 87.43 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 114' ' ' VAL . 2.1 t -42.41 146.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.83 HD23 HD11 ' A' ' 75' ' ' ILE . 3.5 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.808 0.337 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.413 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 24.4 p -112.28 146.32 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.831 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -148.27 146.76 28.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.441 ' HG2' ' C ' ' A' ' 111' ' ' ASN . 27.1 mtm180 -94.94 138.95 32.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.727 HD22 ' HB3' ' A' ' 48' ' ' PHE . 28.6 mt -58.56 117.53 4.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -117.27 -38.75 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.562 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 3.8 m-85 -111.11 150.95 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -123.85 98.59 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.054 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 87.2 t -103.25 119.28 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -112.38 136.02 52.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.709 HG21 ' HB3' ' A' ' 34' ' ' SER . 8.0 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.781 0.325 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -75.25 -64.62 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -50.54 -36.79 35.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.786 ' HA ' HD12 ' A' ' 20' ' ' LEU . 19.0 tt0 -50.41 -18.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.1 -25.19 61.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 2.6 pt-20 -98.16 10.89 39.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 17' ' ' GLU . 19.9 mt -115.49 -29.11 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.7 mt -69.26 123.85 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.34 -27.98 11.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 52.6 mmtt -56.26 137.21 74.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -17.67 37.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.554 ' HH2' HD23 ' A' ' 20' ' ' LEU . 30.6 p-90 -96.72 -14.07 22.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.529 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 26.4 t80 -77.04 93.95 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -65.72 -16.85 64.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.529 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 80.52 -124.52 6.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.78 38.81 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.425 ' SG ' HG13 ' A' ' 134' ' ' VAL . 10.0 m -80.03 157.65 26.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -61.69 151.33 34.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -62.6 -46.42 88.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -50.52 -58.19 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m -47.24 -46.59 24.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.55 -39.64 49.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -71.07 -39.35 72.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -66.2 -50.46 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.63 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -55.98 -33.47 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 67' ' ' PHE . 33.5 mt -80.62 -37.24 31.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -68.97 -32.42 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 42' ' ' SER . 4.0 ptt-85 -71.41 -30.04 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 23.3 t -61.03 -51.84 67.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t30 66.03 39.64 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.476 ' HD2' ' CE2' ' A' ' 130' ' ' TYR . 25.1 mtmt -132.0 87.5 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.39 105.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 141.37 -13.79 2.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -62.84 164.41 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 130' ' ' TYR . 30.7 p90 -164.75 154.55 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.7 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.5 pp -159.4 130.95 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.471 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 22.0 mm -91.13 113.02 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -104.46 140.14 38.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -80.94 137.02 36.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.923 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.589 0.709 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -43.28 2.74 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.303 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -140.44 172.63 12.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.0 m -141.75 131.38 24.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.55 HD21 HD11 ' A' ' 113' ' ' LEU . 9.4 tp -92.17 140.7 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.529 HG12 ' CD1' ' A' ' 39' ' ' LEU . 45.5 t -126.7 98.72 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.99 116.62 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.602 ' HB2' HD22 ' A' ' 39' ' ' LEU . 79.1 t80 -82.92 118.38 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CZ ' ' OD2' ' A' ' 124' ' ' ASP . 1.5 t80 -104.64 177.32 4.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.06 91.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 68' ' ' PHE . 4.9 mmmm 60.89 38.17 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -149.74 163.9 36.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -137.37 124.4 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -116.82 111.22 19.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.957 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -96.33 94.34 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.482 HD11 ' CD2' ' A' ' 115' ' ' LEU . 12.1 mt -90.72 131.68 37.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 135.18 29.77 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.353 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.3 t -107.6 78.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -66.53 156.33 35.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 61.1 t80 -122.09 115.76 23.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 80' ' ' ILE . 4.0 mp -89.47 88.03 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -47.41 -39.96 16.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.83 -34.64 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.8 p -123.18 4.23 9.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 36.1 mmtm 52.46 36.03 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -120.79 -178.05 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.535 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 4.5 m-85 -130.54 138.58 50.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.36 169.87 9.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 88' ' ' LEU . 3.8 mm? -105.95 138.72 41.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.87 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.472 ' CD1' HG12 ' A' ' 104' ' ' ILE . 89.1 m-85 -153.97 127.13 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -35.93 -52.74 1.19 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.535 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 m -151.83 -177.28 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 0.0 110.848 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.647 ' HB ' HD21 ' A' ' 20' ' ' LEU . 56.9 t -56.39 -58.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.7 t -46.69 -42.95 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.93 -41.96 79.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.472 HG12 ' CD1' ' A' ' 98' ' ' PHE . 81.5 mt -57.52 -34.55 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.479 HG13 HD13 ' A' ' 128' ' ' LEU . 85.4 t -82.43 -53.17 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -54.38 -31.17 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -74.52 -36.44 63.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.575 ' HB2' HD12 ' A' ' 128' ' ' LEU . 5.7 m-70 -73.48 -26.31 60.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -42.35 -39.28 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -100.18 -51.63 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -82.63 140.24 44.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.48 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 54.0 Cg_endo -69.7 142.05 47.16 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.738 2.292 . . . . 0.0 112.342 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.55 HD11 HD21 ' A' ' 64' ' ' LEU . 2.5 tt -91.05 90.19 7.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 124' ' ' ASP . 3.5 p -56.02 134.53 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 75' ' ' ILE . 7.3 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.545 ' OD2' ' CZ ' ' A' ' 68' ' ' PHE . 10.8 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.352 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.1 p -170.64 148.05 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 126' ' ' THR . 12.5 t -158.38 128.43 5.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 45.6 mtt180 -79.21 144.26 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.575 HD12 ' HB2' ' A' ' 108' ' ' HIS . 14.9 mt -71.56 126.25 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -130.35 -41.8 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 15.6 m-85 -102.07 154.63 18.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -132.54 95.66 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.3 t -87.31 135.77 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -113.13 113.08 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' A' ' 38' ' ' ALA . 3.6 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -54.92 -50.74 68.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -88.3 -46.5 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.88 153.62 41.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -173.71 158.24 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -39.83 147.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.95 159.54 29.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' PHE . 54.1 Cg_endo -69.79 2.83 3.2 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.641 2.227 . . . . 0.0 112.353 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' PRO . 39.7 t80 -34.53 -56.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -111.37 106.34 15.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 m -126.4 66.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.7 m -74.3 -60.03 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' ALA . 10.2 m-85 -47.54 -50.25 24.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -34.17 -54.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.75 -47.54 30.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' PHE . 11.1 mm-40 -58.17 -40.15 80.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.604 ' HA ' HD12 ' A' ' 20' ' ' LEU . 42.6 tt0 -52.24 -42.44 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.32 -37.19 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -96.29 24.64 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 17' ' ' GLU . 40.0 mt -130.15 -31.7 1.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.5 mt -63.25 127.1 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.33 -35.25 5.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 66.1 mmtt -44.12 136.87 3.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.54 12.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.307 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.564 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 23.8 p-90 -113.29 -21.9 10.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.532 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 43.4 t80 -67.26 98.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.987 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -66.47 -21.29 66.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.532 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 73.74 -155.15 49.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.86 43.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.55 149.55 24.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -49.04 144.66 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 20.3 ttp180 -58.43 -49.78 76.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -50.95 -49.72 59.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.806 ' HB3' HG21 ' A' ' 134' ' ' VAL . 45.2 m -52.73 -43.55 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.45 -43.81 68.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.583 ' HG2' HG11 ' A' ' 72' ' ' VAL . 46.5 mt-10 -69.31 -43.08 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.23 -56.79 16.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' O ' HG11 ' A' ' 132' ' ' VAL . . . -51.46 -26.61 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.699 HD22 ' HB2' ' A' ' 67' ' ' PHE . 46.5 mt -82.45 -51.98 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -55.98 -32.24 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 42' ' ' SER . 5.3 ptm180 -71.73 -30.0 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 46.9 t -64.51 -52.7 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.7 t30 63.66 41.05 7.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -134.79 87.13 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.476 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -42.57 108.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.78 -16.74 3.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.528 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.8 m -67.1 155.15 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 110.847 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' CD1' HD22 ' A' ' 128' ' ' LEU . 37.2 p90 -150.51 167.49 27.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.987 HD13 ' HB2' ' A' ' 27' ' ' ALA . 2.1 pp -172.19 126.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.402 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 6.4 mm -88.23 127.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.409 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 13.0 ptt180 -117.58 119.05 33.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -49.18 136.94 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.2 p -70.45 -176.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.8 167.42 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.92 134.99 19.58 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 73.18 41.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.61 148.43 24.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.7 t -127.62 -61.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -60.03 -34.54 73.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -122.78 86.59 50.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.641 0.734 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.471 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.7 -48.15 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 35.7 m-85 -139.48 176.41 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 75' ' ' ILE . 55.4 m -145.77 127.23 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.6 tp -87.04 140.8 29.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 t -130.29 98.87 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.25 117.52 29.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.699 ' HB2' HD22 ' A' ' 39' ' ' LEU . 39.4 t80 -83.87 133.38 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.1 t80 -120.77 179.49 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.476 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 1.3 t30 -41.92 91.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' PHE . 25.0 mmtp 56.11 41.96 28.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 70' ' ' LYS . 20.6 mmt85 -146.28 165.47 29.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.583 HG11 ' HG2' ' A' ' 36' ' ' GLU . 34.7 t -142.42 119.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -118.02 112.93 20.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.1 97.28 7.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 63' ' ' THR . 8.5 mt -90.95 131.61 36.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 126.41 13.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.303 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -95.59 82.26 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.6 mtt85 -64.45 159.09 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.51 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 22.4 t80 -127.92 106.02 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.525 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.1 mp -75.29 89.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.177 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 82' ' ' ALA . 24.7 tt0 -50.48 -41.11 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -33.98 -44.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.1 p -123.53 4.32 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 36.1 mmtt 60.65 35.67 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -106.43 178.71 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.412 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.2 m-85 -126.31 147.65 49.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -141.78 164.33 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.77 139.93 39.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.92 179.36 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -53.62 175.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -73.29 147.58 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -133.74 177.62 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.37 47.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.97 43.08 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.61 163.72 20.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.39 133.35 38.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -111.49 113.9 26.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.521 ' CD2' HG12 ' A' ' 104' ' ' ILE . 54.4 m-85 -102.85 169.82 8.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.32 -29.18 15.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -157.54 169.07 25.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.56 -47.03 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.09 -39.39 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.47 -41.86 90.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.521 HG12 ' CD2' ' A' ' 98' ' ' PHE . 77.1 mt -54.14 -35.05 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.419 HG13 HD13 ' A' ' 128' ' ' LEU . 96.9 t -83.31 -47.08 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -56.67 -52.29 65.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -63.9 -40.32 96.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.728 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -63.38 -43.38 97.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' HIS . 21.1 mt-30 -34.96 -41.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -102.02 -43.15 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -84.13 133.45 45.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.18 49.77 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.728 HD22 ' CD2' ' A' ' 108' ' ' HIS . 30.9 tp -113.39 92.83 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.487 HG12 HG12 ' A' ' 116' ' ' ILE . 85.8 t -48.4 126.43 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.24 84.54 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.558 HD11 ' HD3' ' A' ' 123' ' ' LYS . 51.5 mm -85.78 86.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 118' ' ' SER . 4.6 t70 -71.96 97.39 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' ASP . 81.0 p -34.53 -47.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -66.82 -58.38 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -100.39 90.93 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.9 85.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 63.6 p -134.9 104.46 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.558 ' HD3' HD11 ' A' ' 116' ' ' ILE . 2.8 tppp? -70.26 93.78 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -142.52 105.56 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 6.5 p -98.99 162.77 12.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.0 t -158.89 131.9 7.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -82.56 121.14 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 48' ' ' PHE . 59.5 mt -41.74 117.43 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -120.96 -40.67 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -107.44 158.8 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -132.67 97.17 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.535 HG11 ' O ' ' A' ' 38' ' ' ALA . 96.9 t -101.8 104.64 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -100.36 126.56 46.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.806 HG21 ' HB3' ' A' ' 34' ' ' SER . 8.5 p -75.57 153.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.3 t -158.19 130.33 6.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.3 t -85.4 -54.15 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 123.56 170.73 13.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -40.46 5.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.25 . . . . 0.0 112.355 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.2 t -63.77 107.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.2 t -90.54 111.88 23.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -137.34 137.79 39.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -66.72 -55.62 14.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.92 65.13 1.56 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 p -149.75 167.34 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -121.31 104.13 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.56 -119.35 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.53 51.3 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -66.34 169.94 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -103.9 159.23 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' THR . 88.6 p -86.77 -42.8 13.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' SER . 96.7 m -34.4 -49.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 61' ' ' PRO . 7.5 m-85 -79.01 -52.86 7.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.67 -48.91 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.07 -37.53 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' PHE . 24.9 mm-40 -66.65 -45.02 80.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 20' ' ' LEU . 32.9 tt0 -47.07 -45.03 21.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.83 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.9 18.47 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 17' ' ' GLU . 21.7 mt -123.2 -31.63 3.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 mt -61.48 125.89 25.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.54 -35.44 4.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -49.04 137.01 14.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.557 0.694 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.02 17.58 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.541 ' CZ3' HG13 ' A' ' 50' ' ' ILE . 37.9 p-90 -111.28 -30.21 7.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 18.7 t80 -62.03 97.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.895 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -69.43 -17.07 63.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 74.75 -153.44 45.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.17 42.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.75 150.27 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.77 144.92 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 31.0 ttt180 -58.94 -49.93 75.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -48.04 -53.7 15.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.695 ' HB3' HG21 ' A' ' 134' ' ' VAL . 3.1 m -50.03 -38.18 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 32' ' ' ARG . . . -59.6 -50.1 75.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.14 -36.26 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -69.79 -51.63 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -54.84 -24.72 24.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.568 HD22 ' CB ' ' A' ' 67' ' ' PHE . 39.8 mt -89.0 -48.92 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -60.5 -29.51 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 42' ' ' SER . 8.0 ptm180 -72.72 -40.79 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 8.9 t -55.91 -50.13 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 66.56 46.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -132.76 83.59 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.08 120.26 1.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.14 -18.35 8.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 m -58.54 155.98 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.39 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.632 ' HB3' HD22 ' A' ' 128' ' ' LEU . 34.1 p90 -151.61 153.7 34.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 27' ' ' ALA . 1.2 pp -159.93 135.65 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.775 HD13 ' HA ' ' A' ' 64' ' ' LEU . 23.5 mm -96.11 130.34 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.0 ptt85 -119.89 125.48 48.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -59.56 141.01 55.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.7 t -45.47 117.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -54.2 -42.02 69.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -96.76 160.64 21.78 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -76.47 94.98 3.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -129.08 177.43 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.1 t -124.25 -41.17 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -40.65 98.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -111.47 88.65 9.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.447 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.7 -45.11 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.508 ' CD2' HG21 ' A' ' 101' ' ' VAL . 20.5 m-85 -141.34 174.05 10.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.2 m -144.21 126.07 15.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.172 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.775 ' HA ' HD13 ' A' ' 50' ' ' ILE . 4.1 tp -85.12 131.99 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.427 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 46.3 t -119.36 102.13 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.82 121.17 30.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CB ' HD22 ' A' ' 39' ' ' LEU . 36.4 t80 -87.05 115.96 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -102.64 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -44.4 91.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' PHE . 72.0 mmtt 61.17 40.95 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 32.5 mtp180 -153.9 158.49 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.427 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 54.0 t -135.63 120.75 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -110.83 119.38 38.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -96.94 98.92 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.567 HD11 ' CD2' ' A' ' 115' ' ' LEU . 30.0 mt -94.38 121.52 63.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 127.73 15.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.568 HG22 HD13 ' A' ' 88' ' ' LEU . 99.2 t -98.62 85.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -74.97 153.34 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -117.71 123.92 47.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 mp -93.94 121.05 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' ALA . 34.5 tt0 -76.82 -35.94 57.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -37.24 -39.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.1 p -128.07 -3.38 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt 67.79 41.52 2.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -118.52 177.32 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.482 ' CB ' HD11 ' A' ' 104' ' ' ILE . 2.8 m-85 -121.52 158.11 29.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.668 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -145.46 176.48 9.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.668 HD22 ' C ' ' A' ' 87' ' ' ALA . 2.2 mm? -117.42 142.6 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.7 161.68 36.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.73 -12.66 28.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -105.62 152.29 23.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 95' ' ' GLU . 3.8 ttmm -69.34 -32.13 71.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' LYS . 14.9 t-20 -35.07 99.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.78 45.16 35.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 92' ' ' LYS . 16.9 pt-20 -72.55 127.12 31.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -112.42 135.52 53.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -105.01 123.09 47.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.592 ' CD2' HG12 ' A' ' 104' ' ' ILE . 85.7 m-85 -108.85 -75.14 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.12 -13.53 3.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 p -167.85 158.95 11.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' A' ' 104' ' ' ILE . 35.6 t -64.03 -43.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.53 -44.28 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -59.82 -42.08 92.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.592 HG12 ' CD2' ' A' ' 98' ' ' PHE . 63.2 mt -50.12 -41.68 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.537 HG13 ' CD1' ' A' ' 128' ' ' LEU . 94.9 t -81.01 -54.24 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.41 ' HA ' ' CD ' ' A' ' 109' ' ' GLN . 33.3 m-20 -44.96 -37.94 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.487 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 3.2 m -75.17 -39.49 60.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.74 -12.33 52.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.41 ' CD ' ' HA ' ' A' ' 106' ' ' ASN . 82.7 mt-30 -67.71 -33.67 75.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -107.85 20.25 19.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 107' ' ' SER . 4.4 p30 -156.9 143.47 13.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.735 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.484 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 54.4 Cg_endo -69.72 141.82 46.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.8 tp -98.05 101.73 13.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.45 135.39 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.567 ' CD2' HD11 ' A' ' 75' ' ' ILE . 26.1 mt -128.45 104.04 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 63.9 mt -112.6 86.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -115.24 36.03 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 m -145.73 152.92 40.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -84.53 47.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -143.69 178.6 7.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -92.53 70.03 4.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.4 p -134.9 113.16 11.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -107.08 88.01 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -86.95 85.33 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.2 p -88.64 141.76 28.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.8 t -145.36 134.54 22.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.484 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 45.1 mtm180 -77.98 152.15 33.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 48' ' ' PHE . 38.7 mt -81.76 111.74 18.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -110.7 -44.39 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.5 m-85 -103.96 150.47 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -130.26 98.5 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -99.89 119.01 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -107.08 132.05 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.808 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.2 p -82.99 150.18 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.181 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 43.9 t -153.16 138.05 17.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 137' ' ' GLY . 16.2 t -40.05 -45.91 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 136' ' ' SER . . . -32.86 96.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 136' ' ' SER . 53.3 Cg_endo -69.78 162.41 42.21 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.636 2.224 . . . . 0.0 112.353 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.9 m -105.05 81.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 59.5 p -148.14 138.03 22.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -98.61 -51.49 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -112.29 -60.13 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.43 149.92 19.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.544 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -91.68 93.61 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -152.92 175.73 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.74 -157.89 20.2 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 1.87 4.02 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.748 2.298 . . . . 0.0 112.329 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -96.79 140.21 31.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 43.34 49.31 5.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 t -93.35 42.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -88.91 -65.25 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 14' ' ' ALA . 9.8 m-85 -50.33 -42.8 53.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -33.93 -45.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -55.2 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -53.76 -38.44 64.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.717 ' HA ' HD12 ' A' ' 20' ' ' LEU . 33.5 tt0 -56.5 -40.67 75.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.25 -38.83 42.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.51 24.72 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' A' ' 17' ' ' GLU . 38.8 mt -128.75 -31.31 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.61 HD23 ' CE2' ' A' ' 26' ' ' TYR . 55.3 mt -63.56 128.69 36.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.37 -34.65 5.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 40.7 mmtt -43.3 137.85 2.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.53 0.681 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -4.08 13.31 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.434 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 27.5 p-90 -114.71 -20.45 10.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.61 ' CE2' HD23 ' A' ' 21' ' ' LEU . 27.6 t80 -69.45 93.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.728 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -66.09 -22.03 66.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.525 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 81.32 -144.94 24.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.38 42.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' CB ' HG11 ' A' ' 134' ' ' VAL . 14.6 p -67.9 -177.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.836 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.55 156.19 16.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.86 -39.98 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -72.32 -59.73 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.554 ' HB3' HG21 ' A' ' 134' ' ' VAL . 4.0 m -41.03 -43.5 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.24 -52.89 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.61 -46.36 90.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 39' ' ' LEU . 31.4 mm-40 -55.69 -66.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -41.13 -26.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.425 HD22 ' HB2' ' A' ' 67' ' ' PHE . 71.6 mt -84.37 -54.89 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -56.21 -30.02 61.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 42' ' ' SER . 9.1 ptm180 -72.72 -32.05 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 22.9 t -64.46 -49.03 73.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 43' ' ' ASN . 2.8 t30 64.83 45.17 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 37.5 mtpt -134.83 81.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -35.74 126.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.54 -25.72 7.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 m -51.42 156.89 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 24.1 p90 -157.81 161.86 38.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.4 pp -166.61 139.01 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.434 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 11.6 mm -95.13 120.86 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -112.09 123.59 50.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' SER . 49.5 tttm -62.26 140.22 58.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' LYS . 30.5 t -35.89 151.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.3 p -81.43 44.02 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.46 -146.99 15.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -106.63 115.18 29.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -143.6 176.71 9.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t -129.94 -43.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -69.99 -32.35 70.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -120.79 84.95 38.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -42.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.731 2.287 . . . . 0.0 112.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -144.36 178.69 7.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 75' ' ' ILE . 89.9 m -151.0 126.95 10.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 113' ' ' LEU . 24.3 tp -85.75 137.9 32.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.49 HG13 ' OD1' ' A' ' 74' ' ' ASN . 8.4 t -123.48 100.24 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.59 119.83 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.425 ' HB2' HD22 ' A' ' 39' ' ' LEU . 43.1 t80 -85.8 118.19 25.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -104.13 176.05 5.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -46.51 89.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' PHE . 1.4 mmmp? 63.93 38.3 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 27.7 mtp180 -151.92 160.89 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.46 HG13 HG12 ' A' ' 65' ' ' VAL . 61.7 t -136.19 122.56 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.443 ' CD1' HD13 ' A' ' 115' ' ' LEU . 16.2 m-85 -111.76 115.74 29.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.49 ' OD1' HG13 ' A' ' 65' ' ' VAL . 2.2 m-80 -99.67 103.0 14.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 63' ' ' THR . 21.0 mt -99.26 122.56 51.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 111.089 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 118.44 5.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -88.58 80.44 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -59.11 163.27 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -131.71 111.34 11.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.61 90.21 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -51.65 -34.12 36.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.44 -38.25 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.9 p -124.71 6.57 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 54.33 29.2 10.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -104.52 -179.38 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 87.0 m-85 -128.05 146.13 50.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -135.43 160.89 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.1 136.92 41.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.47 -140.98 47.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -103.91 178.2 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -47.42 143.2 3.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -147.12 129.49 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -40.94 97.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.95 54.8 6.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' CD ' ' C ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -73.49 162.89 28.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -100.45 127.06 46.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -92.14 167.61 11.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.579 ' CD1' HG12 ' A' ' 104' ' ' ILE . 63.4 m-85 -144.53 114.74 7.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.31 -40.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.45 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 m -149.36 -179.78 7.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.9 t -70.56 -48.16 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.168 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 66.1 t -47.58 -44.92 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -55.68 -46.64 77.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.579 HG12 ' CD1' ' A' ' 98' ' ' PHE . 74.2 mt -47.16 -38.84 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.434 HG13 ' CD1' ' A' ' 128' ' ' LEU . 94.7 t -81.58 -45.69 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -54.5 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -55.25 -44.47 75.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.607 ' CD2' HD12 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -52.22 -44.48 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 108' ' ' HIS . 68.2 mt-30 -31.18 -43.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -90.54 -46.02 8.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -91.61 124.51 60.57 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.639 0.733 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.33 47.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.607 HD12 ' CD2' ' A' ' 108' ' ' HIS . 3.4 tt -91.53 85.91 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 123' ' ' LYS . 10.4 p -42.01 124.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 75' ' ' ILE . 34.5 mt -106.92 126.94 52.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.459 HD11 HG22 ' A' ' 114' ' ' VAL . 4.9 mp -126.65 116.32 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -95.32 114.59 26.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.14 46.17 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 41.53 36.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -87.8 149.3 24.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -40.9 -38.98 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 36.2 p -48.01 101.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.716 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -108.54 17.02 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 123' ' ' LYS . 16.9 m-20 -33.95 104.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.481 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 86.4 p -100.15 149.94 23.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.6 t -143.81 147.86 34.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -102.86 129.76 49.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.566 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 24.4 mt -53.42 104.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -109.21 -45.88 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.57 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.4 m-85 -103.09 149.71 24.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -122.16 93.82 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.99 104.67 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -98.96 127.73 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.728 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.0 p -80.45 153.09 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.0 p -158.93 128.27 5.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.8 t -150.05 112.05 4.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 154.78 154.65 6.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.431 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -1.69 8.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.246 . . . . 0.0 112.311 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.8 m -136.37 143.62 44.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 39.9 t -38.42 141.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.503 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -63.51 -48.09 79.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.822 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -73.25 165.69 24.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.5 134.53 4.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -118.81 147.02 44.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.8 p -94.4 154.54 17.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.45 93.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -20.02 35.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -121.84 163.41 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -41.78 161.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.1 m -43.6 158.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.1 m -123.17 -60.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -76.71 -50.84 12.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.01 -43.71 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -43.63 98.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -58.95 -37.11 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.796 ' HA ' HD12 ' A' ' 20' ' ' LEU . 26.2 tt0 -56.5 -38.62 72.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.32 -34.1 45.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.056 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.72 23.87 9.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 17' ' ' GLU . 22.4 mt -126.34 -30.19 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.6 mt -65.77 125.4 25.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.41 -34.68 5.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 41.6 mmtt -45.24 137.14 5.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -6.64 19.09 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.48 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 19.6 p-90 -108.46 -28.48 9.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 28.9 t80 -61.04 97.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.954 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -67.77 -17.15 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 79.69 -138.63 20.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.85 37.29 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.177 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.435 ' CB ' HG11 ' A' ' 134' ' ' VAL . 22.1 p -63.12 174.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -93.26 166.1 12.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -60.66 -35.01 75.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -75.15 -66.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.631 ' HB3' HG21 ' A' ' 134' ' ' VAL . 24.2 m -38.46 -38.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.67 -49.15 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.067 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.97 -42.58 89.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.86 -60.2 4.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.92 -26.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.733 HD22 ' HB2' ' A' ' 67' ' ' PHE . 21.4 mt -85.14 -55.41 4.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.427 ' NE2' HG23 ' A' ' 72' ' ' VAL . 22.8 m-70 -56.28 -29.88 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -74.85 -36.7 62.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.1 t -58.14 -47.99 81.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 63.4 42.55 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.457 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 33.8 mtmt -134.31 82.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -35.49 132.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.9 -21.4 20.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -56.42 156.53 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.657 ' CG ' HD22 ' A' ' 128' ' ' LEU . 19.2 p90 -157.02 162.28 39.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 49' ' ' LEU . 4.0 pp -168.4 127.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mm -83.94 124.62 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HD3' HG21 ' A' ' 65' ' ' VAL . 29.6 ptt85 -116.51 121.76 42.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.36 146.67 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.7 p -45.0 165.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 p -101.28 85.11 2.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.45 -135.99 9.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -126.66 103.7 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.35 173.0 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -126.28 -42.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -52.9 -45.91 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -118.55 91.61 42.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -47.66 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -139.53 173.01 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.8 m -144.67 137.36 26.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.442 ' CD2' ' CD2' ' A' ' 113' ' ' LEU . 9.5 tp -92.52 145.98 24.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.431 HG21 ' HD3' ' A' ' 51' ' ' ARG . 26.4 t -134.17 96.2 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.45 118.64 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.733 ' HB2' HD22 ' A' ' 39' ' ' LEU . 57.3 t80 -84.02 114.73 21.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 124' ' ' ASP . 1.5 t80 -102.28 -179.82 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -47.02 91.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' PHE . 40.5 mmtt 58.45 33.97 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -144.15 156.88 44.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.427 HG23 ' NE2' ' A' ' 40' ' ' HIS . 49.0 t -133.81 120.87 38.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -112.08 117.05 31.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.33 102.16 13.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 63' ' ' THR . 33.5 mt -96.72 122.15 57.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.07 16.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.649 HG22 ' CD1' ' A' ' 88' ' ' LEU . 47.8 t -101.5 86.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -74.67 154.07 38.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -119.06 129.59 55.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.457 HG12 ' CE2' ' A' ' 97' ' ' TYR . 5.0 mp -103.23 114.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 82' ' ' ALA . 28.9 tt0 -66.0 -43.31 88.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.35 -56.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.6 p -110.71 8.1 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt 50.61 45.37 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -119.95 173.4 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 8.8 m-85 -118.96 146.06 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.503 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . . . -131.89 164.84 25.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.649 ' CD1' HG22 ' A' ' 77' ' ' VAL . 3.0 mm? -112.52 139.03 48.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.64 -177.03 49.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.8 pttm -111.19 -20.69 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.353 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -106.65 132.16 52.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 95' ' ' GLU . 1.9 mtmp? -51.21 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 92' ' ' LYS . 44.8 t-20 37.89 38.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.39 16.39 34.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 92' ' ' LYS . 13.3 mt-10 -45.8 131.23 9.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -97.63 126.32 42.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 5.2 m-30 -99.72 109.73 22.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CD1' HG12 ' A' ' 104' ' ' ILE . 3.1 m-85 -97.16 158.73 15.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.26 59.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.574 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 3.2 m -163.8 -178.77 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 110.876 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 87.1 t -59.52 -53.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.1 t -42.75 -43.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.46 -43.96 92.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.588 HG12 ' CD1' ' A' ' 98' ' ' PHE . 67.6 mt -50.48 -49.63 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.549 HG13 HD13 ' A' ' 128' ' ' LEU . 96.3 t -74.12 -59.32 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -39.81 -58.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -60.03 -42.54 94.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -57.64 -37.0 72.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -41.14 -42.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -100.08 -47.62 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' C ' ' HG2' ' A' ' 127' ' ' ARG . 36.0 m-80 -77.52 137.51 63.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 145.08 56.23 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.515 HD22 ' CD2' ' A' ' 108' ' ' HIS . 42.4 tp -110.78 80.88 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 123' ' ' LYS . 8.6 p -42.48 131.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.564 HD23 HD11 ' A' ' 75' ' ' ILE . 9.5 mt -113.14 122.77 48.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 123' ' ' LYS . 32.4 mm -115.94 95.32 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' SER . 27.2 t0 -103.28 37.83 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' ASP . 18.2 m 35.3 49.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -121.05 106.92 12.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.5 m120 47.66 28.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 49.68 44.46 24.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.8 p -110.47 113.0 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 116' ' ' ILE . 8.4 pttt -97.48 106.75 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 11.5 m-20 -103.32 88.73 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.452 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.1 p -77.58 139.31 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.2 t -145.46 142.11 28.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.435 ' HG2' ' C ' ' A' ' 111' ' ' ASN . 23.3 mtm180 -93.56 133.82 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.657 HD22 ' CG ' ' A' ' 48' ' ' PHE . 27.1 mt -55.71 116.71 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -117.73 -39.68 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.457 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 29.0 m-85 -107.66 150.05 27.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.63 98.77 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 78.7 t -102.25 104.93 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -98.83 119.5 37.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.631 HG21 ' HB3' ' A' ' 34' ' ' SER . 3.2 p -76.17 172.06 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.626 ' H ' HG22 ' A' ' 134' ' ' VAL . 3.2 t -153.54 114.06 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.1 p -174.19 176.83 2.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -173.42 79.32 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 158.22 57.77 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.9 t -155.5 148.44 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 25.5 p -113.35 112.9 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -75.07 107.53 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 p -42.73 -55.94 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.49 79.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 t -41.61 156.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t 46.37 42.55 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.13 144.38 15.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -11.02 30.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -59.52 -53.81 53.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -157.99 148.33 20.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 m -121.72 102.61 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.9 m -84.88 -48.12 9.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -97.68 -48.15 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.06 -43.89 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -54.63 41.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -45.81 -40.25 9.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.4 tp10 -50.63 -39.6 50.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.05 -40.64 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -94.92 24.38 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' A' ' 17' ' ' GLU . 21.5 mt -126.13 -31.62 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.1 134.72 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.03 -36.0 4.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.51 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 47.2 mmtt -44.93 134.7 5.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -4.66 14.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.51 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 20.3 p-90 -110.97 -21.52 11.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 33.1 t80 -67.45 95.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.7 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -64.73 -22.34 66.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.524 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 81.88 -152.94 32.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.13 47.07 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.56 169.62 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.48 150.77 38.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -59.67 -44.57 93.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -54.8 -57.75 10.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 m -50.33 -45.99 55.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -45.88 62.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -65.76 -44.73 84.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.73 -46.55 84.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.532 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -56.76 -29.95 63.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 67' ' ' PHE . 53.0 mt -83.02 -54.14 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -55.77 -30.24 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' HG3' ' N ' ' A' ' 42' ' ' SER . 5.1 ptm180 -73.29 -30.38 63.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.481 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 27.4 t -67.95 -49.42 61.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 65.42 46.43 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 45' ' ' ASP . 16.8 mtpp -134.71 82.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -35.91 129.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.77 -29.5 7.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -46.92 152.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 0.0 110.871 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.62 ' HB3' HD22 ' A' ' 128' ' ' LEU . 33.9 p90 -149.73 158.52 44.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 27' ' ' ALA . 2.9 pp -163.43 142.76 8.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.459 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 17.4 mm -103.17 131.11 52.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -118.43 123.1 44.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.15 137.92 57.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 p -42.3 156.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.4 p -100.46 -43.77 6.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.74 -171.95 42.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -97.89 43.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.339 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.01 168.26 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -123.59 -47.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -40.97 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.9 92.84 36.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -49.18 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.378 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -134.97 173.92 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.8 m -144.82 132.99 21.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.433 ' HA ' HD13 ' A' ' 50' ' ' ILE . 56.0 tp -92.19 148.2 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 32.8 t -134.48 95.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.13 125.0 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.083 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.546 ' HB2' HD22 ' A' ' 39' ' ' LEU . 78.4 t80 -91.03 116.15 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -103.02 -177.32 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 34.4 p-10 -44.92 89.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 68' ' ' PHE . 28.7 mmtp 58.52 37.75 25.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -147.45 159.94 43.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 58.2 t -131.24 123.71 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -115.04 109.75 18.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -96.3 101.06 12.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.754 HD12 HD21 ' A' ' 113' ' ' LEU . 32.0 mt -95.01 131.65 29.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 111.1 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 126.04 12.82 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -96.52 85.8 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -62.91 158.65 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -118.71 129.83 55.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.4 mm -99.73 75.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' ALA . 13.3 tt0 -43.36 -46.95 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -36.5 -46.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 p -124.73 19.91 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt 47.06 39.78 8.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.448 ' CD ' ' HB3' ' A' ' 97' ' ' TYR . 28.1 mt-30 -106.83 -174.04 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.692 ' CB ' HD11 ' A' ' 104' ' ' ILE . 85.5 m-85 -136.48 149.29 48.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.715 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -126.12 178.22 5.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.715 HD22 ' C ' ' A' ' 87' ' ' ALA . 3.8 mm? -126.53 139.1 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.449 ' H ' HG22 ' A' ' 75' ' ' ILE . . . 78.94 177.1 49.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.31 36.61 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.9 tttm -148.11 165.6 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -87.13 -22.27 25.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -45.08 99.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.39 35.69 69.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.28 126.92 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 98' ' ' PHE . 2.9 tp10 -117.8 131.63 56.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.448 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 18.8 m-85 -95.55 122.51 38.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 96' ' ' GLU . 80.4 m-85 -112.29 124.9 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -36.24 -43.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -155.81 170.85 21.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.463 HG23 ' CZ ' ' A' ' 86' ' ' TYR . 93.2 t -55.33 -49.87 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.3 t -53.06 -38.96 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.65 -40.27 91.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.692 HD11 ' CB ' ' A' ' 86' ' ' TYR . 86.2 mt -54.94 -41.07 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.2 t -76.48 -47.72 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -56.71 -39.54 74.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.5 t -67.84 -53.84 23.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.462 ' O ' ' C ' ' A' ' 109' ' ' GLN . 5.3 m-70 -49.88 -37.49 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' HIS . 64.1 mt-30 -32.79 -41.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.408 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 36.6 m-70 -93.53 -51.89 4.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -91.85 132.45 32.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.451 ' HB2' ' N ' ' A' ' 126' ' ' THR . 53.9 Cg_endo -69.72 138.45 37.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.733 2.288 . . . . 0.0 112.319 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.754 HD21 HD12 ' A' ' 75' ' ' ILE . 35.4 tp -78.09 87.01 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.468 HG23 ' HB3' ' A' ' 123' ' ' LYS . 7.1 p -39.86 141.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 114' ' ' VAL . 6.4 mt -136.6 128.09 28.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 5.4 mp -126.32 85.4 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -102.19 33.57 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 91.9 p -171.51 136.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.78 44.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.71 ' O ' HG23 ' A' ' 122' ' ' THR . 80.3 m-20 -111.58 38.04 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 39.59 40.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 120' ' ' ASN . 25.4 p -120.53 127.41 52.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.468 ' HB3' HG23 ' A' ' 114' ' ' VAL . 16.8 mtmm -119.09 102.44 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.22 94.53 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.462 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 52.5 p -98.0 141.44 30.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.451 ' N ' ' HB2' ' A' ' 112' ' ' PRO . 4.5 t -144.46 139.8 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 110' ' ' HIS . 39.7 mtm180 -84.02 138.66 32.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 48' ' ' PHE . 46.2 mt -65.97 104.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -104.39 -45.86 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -104.31 146.62 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -125.9 94.65 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 93.7 t -96.75 128.75 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -112.23 137.07 50.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.7 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.8 p -87.9 150.95 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.5 t -154.11 144.09 21.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.9 t -77.58 -70.11 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 100.32 -114.31 4.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 122.04 8.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.386 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 83.9 p -76.4 163.67 26.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.5 t -114.33 -48.25 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m 55.46 45.75 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.894 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 p -138.58 145.91 41.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.85 153.89 9.34 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 p -96.03 162.96 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.7 p -138.97 170.99 14.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.76 158.94 30.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -172.5 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.312 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -109.17 42.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -157.95 142.49 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -102.67 73.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.578 ' HB ' ' CE1' ' A' ' 13' ' ' PHE . 64.9 p -129.99 134.89 47.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 0.3 OUTLIER 40.0 24.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -92.45 -38.43 11.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.54 -42.69 74.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -53.71 -40.48 66.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.927 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.4 tm-20 -54.77 -36.75 65.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.63 69.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -95.44 28.8 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.927 HD12 ' HA ' ' A' ' 17' ' ' GLU . 22.2 mt -129.43 -29.51 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.644 HD11 ' OE2' ' A' ' 17' ' ' GLU . 77.5 mt -62.86 136.66 57.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.51 -36.25 4.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 66.2 mmtt -45.85 135.42 6.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -4.63 14.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.525 ' CE2' ' HB3' ' A' ' 23' ' ' LYS . 19.5 p-90 -111.08 -24.49 10.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 21' ' ' LEU . 22.7 t80 -64.49 92.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.672 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -64.25 -20.59 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.506 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 80.23 -161.84 45.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.37 44.13 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.724 0.297 . . . . 0.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.79 174.84 9.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.83 162.53 23.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HG3' ' NH1' ' A' ' 51' ' ' ARG . 23.8 ttp180 -70.25 -42.37 72.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -54.09 -55.42 27.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.591 ' CB ' HG21 ' A' ' 134' ' ' VAL . 7.8 m -56.13 -40.92 74.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.567 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -60.25 -39.52 87.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -74.05 -41.37 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.2 -51.45 66.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.95 -26.93 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' A' ' 67' ' ' PHE . 51.1 mt -83.68 -52.62 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -57.42 -31.48 65.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.0 ptm180 -71.44 -31.91 67.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 10.5 t -65.67 -43.4 89.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.4 t30 58.78 45.63 15.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.485 ' HD2' ' CE2' ' A' ' 130' ' ' TYR . 27.8 mtmt -134.8 81.11 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -36.3 126.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.46 -20.89 10.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -57.37 151.68 15.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 128' ' ' LEU . 33.7 p90 -151.01 153.14 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.672 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.5 pp -156.88 133.48 10.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.49 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 9.0 mm -94.13 120.9 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.43 ' HD3' HG21 ' A' ' 65' ' ' VAL . 18.7 ptt180 -111.09 127.01 55.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -63.92 140.97 58.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -41.62 118.41 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.9 p -127.04 90.56 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 151.0 -120.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -126.17 105.71 9.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -137.27 175.87 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -132.23 -56.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -118.47 43.8 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.472 ' NE2' ' HB3' ' A' ' 76' ' ' PRO . 3.9 tt0 -131.96 96.89 19.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.537 ' HB2' ' CD1' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.71 -44.38 2.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.537 ' CD1' ' HB2' ' A' ' 61' ' ' PRO . 28.2 m-85 -145.54 174.91 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.414 HG23 ' HA ' ' A' ' 76' ' ' PRO . 25.0 m -142.13 121.33 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.606 HD21 HD11 ' A' ' 113' ' ' LEU . 43.4 tp -79.97 145.7 32.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.502 HG13 ' OD1' ' A' ' 74' ' ' ASN . 15.4 t -133.53 96.94 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.64 120.51 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.037 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.46 ' HB2' HD22 ' A' ' 39' ' ' LEU . 44.7 t80 -87.02 118.52 26.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.3 t80 -105.06 -178.23 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -49.34 87.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' PHE . 22.8 mmmt 63.52 39.09 9.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -150.52 157.71 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.454 HG13 HG12 ' A' ' 65' ' ' VAL . 61.3 t -134.16 117.88 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -108.06 117.29 33.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.502 ' OD1' HG13 ' A' ' 65' ' ' VAL . 3.0 m-20 -96.79 101.81 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.1 mt -100.82 122.11 50.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.472 ' HB3' ' NE2' ' A' ' 60' ' ' GLN . 54.2 Cg_endo -69.73 130.55 19.57 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 77' ' ' VAL . 89.8 t -96.31 76.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 ttm-85 -56.13 158.73 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -122.73 102.19 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mp -78.37 93.27 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 82' ' ' ALA . 17.9 tt0 -57.55 -37.57 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -35.35 -39.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 p -129.38 2.02 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 63.94 40.05 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -119.36 174.21 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.527 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 9.7 m-85 -122.06 144.39 48.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -138.36 150.56 46.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.434 HD21 ' CG2' ' A' ' 104' ' ' ILE . 4.0 mm? -81.35 141.25 34.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.23 166.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -51.83 -178.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -64.76 122.07 16.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -115.95 166.21 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -54.68 -55.71 26.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -120.15 64.35 0.46 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.548 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.46 170.5 13.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.813 0.34 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -122.7 136.07 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -101.63 139.78 36.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' A' ' 104' ' ' ILE . 59.2 m-85 -117.19 -46.21 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.13 -35.76 3.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.527 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 1.9 m -161.95 159.48 26.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.837 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 62' ' ' TYR . 91.2 t -52.31 -48.81 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.0 t -52.27 -46.82 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -55.07 -56.46 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.578 HG12 ' CD1' ' A' ' 98' ' ' PHE . 97.0 mt -41.93 -36.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.33 -48.44 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -54.37 -41.84 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 m -68.74 -45.68 70.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.419 ' NE2' ' HG ' ' A' ' 113' ' ' LEU . 5.2 m-70 -57.9 -37.38 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 108' ' ' HIS . 80.4 mt-30 -37.15 -36.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -104.39 -48.36 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' HIS . 80.8 m-20 -84.16 140.08 39.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HA ' ' CG ' ' A' ' 127' ' ' ARG . 53.9 Cg_endo -69.84 139.18 39.32 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.643 2.228 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.606 HD11 HD21 ' A' ' 64' ' ' LEU . 2.5 tt -83.77 93.27 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.9 p -59.27 119.06 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.408 ' CD2' HD22 ' A' ' 113' ' ' LEU . 27.8 mt -110.24 112.16 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.92 95.12 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 118' ' ' SER . 28.6 t70 -73.77 85.66 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 117' ' ' ASP . 75.7 m -34.14 -45.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 118' ' ' SER . 5.0 tp60 -36.76 -51.51 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -130.46 163.16 27.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -81.23 59.36 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.2 p -136.83 110.44 8.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -98.33 102.17 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.29 114.98 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 59.9 p -98.85 136.87 38.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.3 t -146.17 129.06 16.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.409 ' CG ' ' HA ' ' A' ' 112' ' ' PRO . 80.5 mtt180 -74.83 151.24 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 48' ' ' PHE . 51.4 mt -79.53 109.59 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -108.15 -44.71 4.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.485 ' CE2' ' HD2' ' A' ' 44' ' ' LYS . 11.6 m-85 -103.85 152.13 22.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.431 ' HB1' ' HB3' ' A' ' 25' ' ' TRP . . . -132.06 92.52 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 67.2 t -88.48 135.21 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 135' ' ' SER . 27.3 ttpt -120.52 98.56 6.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.599 HG12 ' HB1' ' A' ' 27' ' ' ALA . 14.9 p -38.41 -30.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 133' ' ' LYS . 30.8 m -72.02 91.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.5 t -82.7 89.28 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 77.39 -174.48 54.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.24 15.73 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 m -97.61 124.54 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 33.0 t -72.12 131.62 43.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -41.85 -47.32 4.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.841 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m 52.38 45.37 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.99 -131.46 10.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t 66.98 41.92 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 p -144.82 172.04 13.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.67 159.31 22.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 173.16 11.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -91.15 160.97 15.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -106.92 125.83 51.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.439 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 93.4 p -69.21 -36.88 77.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' SER . 91.3 m -35.64 -54.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 14' ' ' ALA . 8.7 m-85 -82.39 -45.68 14.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 11' ' ' SER . . . -34.16 -55.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.17 -46.95 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 13' ' ' PHE . 21.0 mm100 -59.52 -46.51 88.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.914 ' HA ' HD12 ' A' ' 20' ' ' LEU . 27.6 tt0 -44.05 -40.13 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.37 -44.28 54.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -84.76 22.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 17' ' ' GLU . 23.2 mt -128.23 -30.2 2.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.613 HD23 ' HE2' ' A' ' 26' ' ' TYR . 18.9 mt -61.64 130.69 47.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.73 -38.68 3.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 59.8 mmtt -44.32 138.22 3.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.508 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 20.3 p-90 -109.43 -23.45 11.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.613 ' HE2' HD23 ' A' ' 21' ' ' LEU . 30.0 t80 -66.43 96.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.636 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -65.94 -21.13 66.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.516 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 88.48 -138.75 15.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.15 39.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -81.94 165.71 20.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.31 171.97 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -74.23 -31.42 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -64.12 -62.74 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.689 ' HB3' HG21 ' A' ' 134' ' ' VAL . 33.0 m -48.52 -41.76 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -55.57 -51.05 68.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.42 -39.41 93.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -57.76 -60.8 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' HG11 ' A' ' 132' ' ' VAL . . . -47.51 -25.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.748 HD22 ' CB ' ' A' ' 67' ' ' PHE . 14.9 mt -84.04 -54.23 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.486 ' NE2' HG23 ' A' ' 72' ' ' VAL . 27.9 m-70 -58.04 -31.13 66.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 42' ' ' SER . 10.6 ptm180 -72.82 -35.22 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 13.1 t -63.25 -46.37 87.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 62.68 45.78 5.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.54 ' HE3' ' CE2' ' A' ' 130' ' ' TYR . 21.1 mtpp -133.9 83.76 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -37.8 116.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.43 -24.01 4.75 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.429 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 27.5 m -54.84 153.89 5.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.531 ' CG ' HD22 ' A' ' 128' ' ' LEU . 30.7 p90 -155.56 153.12 29.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.9 pp -154.66 137.15 15.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.42 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 3.8 mm -96.63 118.35 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -105.18 126.63 52.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 26.2 tttp -78.88 136.0 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.2 t -103.57 145.43 30.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -130.2 156.79 44.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.73 -177.79 23.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -98.08 45.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.56 -59.65 2.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.9 p -170.99 -175.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -77.44 42.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 7.0 tt0 -110.38 93.3 15.62 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.564 0.697 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 60' ' ' GLN . 53.7 Cg_endo -69.74 -37.7 8.86 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.724 2.282 . . . . 0.0 112.335 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.437 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 19.9 m-85 -144.47 166.11 26.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 75' ' ' ILE . 86.9 m -142.6 126.53 17.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 48' ' ' PHE . 12.3 tp -88.41 138.25 31.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 39' ' ' LEU . 57.4 t -124.48 98.02 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.23 117.4 25.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.748 ' CB ' HD22 ' A' ' 39' ' ' LEU . 45.5 t80 -83.31 118.84 23.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -105.96 -178.74 3.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -46.96 92.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' PHE . 7.4 mmmm 58.6 33.36 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -142.34 164.3 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.486 HG23 ' NE2' ' A' ' 40' ' ' HIS . 46.6 t -140.85 121.56 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -114.68 114.01 25.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 0.2 OUTLIER -101.34 97.1 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 63' ' ' THR . 17.8 mt -93.26 130.56 35.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 134.99 29.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.366 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.437 HG22 HD13 ' A' ' 88' ' ' LEU . 84.2 t -110.13 75.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -62.49 159.7 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -118.64 124.07 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.526 HD13 ' CE2' ' A' ' 97' ' ' TYR . 5.1 mp -102.17 99.39 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 82' ' ' ALA . 26.5 tt0 -61.23 -40.02 92.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.47 -37.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.1 p -134.34 6.23 3.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm 57.66 43.47 22.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -116.86 177.24 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 7.8 m-85 -134.81 135.82 42.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -125.6 157.13 37.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.437 HD13 HG22 ' A' ' 77' ' ' VAL . 4.0 mm? -96.72 135.05 39.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.44 -132.41 11.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -96.71 -175.66 3.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -75.63 131.56 40.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.47 ' HB3' ' CG ' ' A' ' 95' ' ' GLU . 5.6 tppt? -167.65 149.22 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -103.4 -7.81 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -99.08 2.13 57.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 92' ' ' LYS . 4.7 mm-40 -99.07 173.42 6.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.841 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 98' ' ' PHE . 3.5 pt-20 -76.43 133.94 39.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.526 ' CE2' HD13 ' A' ' 80' ' ' ILE . 5.2 m-85 -125.19 153.76 42.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CD1' HG12 ' A' ' 104' ' ' ILE . 4.8 m-85 -131.32 162.2 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.37 -42.92 93.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.7 m -145.48 -177.53 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.864 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.21 -52.82 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.7 t -47.72 -37.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -62.51 -43.88 97.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.581 HG12 ' CD1' ' A' ' 98' ' ' PHE . 62.0 mt -49.74 -42.47 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.34 -46.88 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -59.07 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -47.35 -27.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 110' ' ' HIS . 2.9 m-70 -80.52 -42.31 22.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' HIS . 87.8 mt-30 -34.38 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' HIS . 11.9 m170 -98.17 -48.84 4.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 108' ' ' HIS . 13.4 m-80 -97.85 137.02 20.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 142.5 48.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.309 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.5 tp -89.7 89.84 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.419 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 77.7 t -38.72 136.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.9 mt -127.52 85.77 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 123' ' ' LYS . 23.8 mm -67.47 79.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -41.01 -53.98 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 92.2 p -157.5 -175.15 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -78.26 45.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -110.51 24.6 12.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 60.37 26.78 16.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.8 t -101.95 133.0 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 125' ' ' SER . 0.0 OUTLIER -128.68 25.05 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 123' ' ' LYS . 87.3 m-20 -35.24 93.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 123' ' ' LYS . 35.0 p -101.09 162.99 12.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.8 t -159.91 141.45 12.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -89.1 131.77 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.531 HD22 ' CG ' ' A' ' 48' ' ' PHE . 20.6 mt -56.96 114.51 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -115.97 -42.45 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.54 ' CE2' ' HE3' ' A' ' 44' ' ' LYS . 12.1 m-85 -105.1 155.87 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -134.58 97.16 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 38' ' ' ALA . 55.1 t -87.3 130.73 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -113.99 104.61 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 34' ' ' SER . 9.8 p -65.83 161.66 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.451 ' N ' HG22 ' A' ' 134' ' ' VAL . 32.0 t -163.95 137.6 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t -172.94 146.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 178.19 134.31 2.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 153.38 68.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.337 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.8 m -52.81 105.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.2 t -41.47 136.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.462 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -143.16 115.59 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -98.67 97.32 8.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.62 80.51 0.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.533 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -72.05 160.84 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -125.14 146.63 49.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.58 82.8 1.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.526 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' PHE . 53.5 Cg_endo -69.77 -18.52 36.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.323 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' PRO . 18.6 t80 -34.46 -53.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -80.59 120.15 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -133.51 86.9 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.2 m -87.93 -51.06 6.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ALA . 8.3 m-85 -94.35 -43.9 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -36.79 -48.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -46.44 88.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 13' ' ' PHE . 15.5 mm-40 -54.77 -40.36 69.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 20' ' ' LEU . 37.9 tt0 -52.9 -36.26 59.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.04 80.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -89.05 20.47 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 17' ' ' GLU . 42.6 mt -129.58 -31.02 2.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.473 HD23 ' HE2' ' A' ' 26' ' ' TYR . 79.1 mt -60.67 124.09 19.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.85 -35.63 4.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -49.83 140.41 15.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -11.78 31.59 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.497 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 21.8 p-90 -105.17 -30.5 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 18.5 t80 -62.43 98.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.48 -11.8 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.512 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 71.56 -117.2 6.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.34 44.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.5 m -78.26 166.17 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.19 134.24 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.439 ' NH1' ' OE2' ' A' ' 36' ' ' GLU . 39.0 ttp85 -47.53 -38.02 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -58.45 -48.9 79.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.1 m -63.26 -35.4 80.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.723 ' HB1' HD21 ' A' ' 49' ' ' LEU . . . -59.07 -45.85 89.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 32' ' ' ARG . 76.8 mt-10 -67.62 -30.85 70.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.92 -49.78 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.464 ' HA ' ' NE ' ' A' ' 41' ' ' ARG . . . -65.0 -27.25 68.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.828 HD22 ' HB2' ' A' ' 67' ' ' PHE . 17.8 mt -81.28 -49.01 11.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.502 ' CE1' HG23 ' A' ' 72' ' ' VAL . 30.9 m-70 -62.79 -31.98 73.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' A' ' 38' ' ' ALA . 6.3 ptp180 -74.44 -29.95 61.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 t -58.33 -40.93 83.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 t30 53.16 34.05 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -128.05 83.23 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -38.09 118.77 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.96 -24.76 5.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.492 ' HB3' HG23 ' A' ' 132' ' ' VAL . 9.0 m -56.87 155.96 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.822 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 128' ' ' LEU . 24.5 p90 -157.49 162.85 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.723 HD21 ' HB1' ' A' ' 35' ' ' ALA . 2.4 pp -160.14 140.21 11.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 64' ' ' LEU . 21.5 mm -101.39 112.58 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -101.14 124.55 47.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 22.7 ttpt -68.65 141.94 55.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.7 t -129.22 134.19 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 96.4 p -169.19 149.42 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 56' ' ' HIS . . . 118.86 99.36 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.523 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.8 t60 33.92 54.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.842 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -128.99 -179.08 4.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -69.05 -172.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.92 43.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 5.9 tt0 -109.2 94.32 15.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.688 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.46 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.75 -38.16 8.2 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 61' ' ' PRO . 14.1 m-85 -142.55 166.55 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.9 m -142.59 123.6 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.163 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.679 HD21 ' CD1' ' A' ' 113' ' ' LEU . 11.3 tp -87.2 129.82 34.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.33 102.02 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.0 119.27 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.828 ' HB2' HD22 ' A' ' 39' ' ' LEU . 66.7 t80 -82.8 118.0 23.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -104.47 177.9 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.45 92.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' PHE . 23.1 mmmt 62.12 38.11 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -151.19 167.42 27.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.502 HG23 ' CE1' ' A' ' 40' ' ' HIS . 47.2 t -143.81 120.6 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -113.61 111.55 22.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' O ' ' ND2' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -99.84 97.05 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.8 mt -89.83 127.49 53.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.508 ' CG ' ' NH1' ' A' ' 78' ' ' ARG . 53.5 Cg_endo -69.82 122.27 8.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.95 76.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH1' ' CG ' ' A' ' 76' ' ' PRO . 1.3 mpt_? -58.41 174.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -138.99 120.21 14.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.45 115.68 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -74.4 -39.07 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -37.47 -40.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.3 p -127.45 -8.05 5.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.26 37.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -109.98 -176.18 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.4 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.7 m-85 -127.76 156.6 42.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -149.27 154.59 39.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.21 140.08 29.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.33 -152.6 51.27 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -87.75 172.64 9.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -55.63 140.46 41.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -134.58 -177.83 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' GLY . 7.8 p30 -79.07 102.78 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 93' ' ' ASN . . . 37.34 54.73 1.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -78.15 168.55 19.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.99 130.31 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -104.8 172.59 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.541 ' CD1' HG12 ' A' ' 104' ' ' ILE . 48.7 m-85 -141.55 114.14 8.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -39.48 -39.58 1.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 m -148.7 168.75 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.7 -45.63 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.89 -35.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.72 -43.12 94.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.541 HG12 ' CD1' ' A' ' 98' ' ' PHE . 75.0 mt -52.55 -47.39 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.608 HG13 ' CD1' ' A' ' 128' ' ' LEU . 90.7 t -71.56 -46.52 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -54.04 -65.21 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.517 ' O ' ' CD2' ' A' ' 110' ' ' HIS . 1.9 m -47.41 -33.74 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 104' ' ' ILE . 4.9 m-70 -70.91 -33.85 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -40.22 -33.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 107' ' ' SER . 25.2 p80 -105.65 -46.84 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 107' ' ' SER . 2.1 p30 -87.9 141.04 31.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.747 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.95 49.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.679 ' CD1' HD21 ' A' ' 64' ' ' LEU . 2.6 tt -89.63 87.43 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.485 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.2 p -49.1 126.22 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 117' ' ' ASP . 29.0 mt -113.49 79.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.86 81.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -82.1 83.39 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.5 t -48.6 -22.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -48.92 -37.36 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.658 ' O ' HG23 ' A' ' 122' ' ' THR . 6.6 m-20 -131.08 27.2 4.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 120' ' ' ASN . 4.7 p-10 34.77 46.19 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 120' ' ' ASN . 10.5 p -120.27 163.96 17.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -117.98 92.35 3.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -103.94 101.4 11.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.485 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.3 p -105.11 135.81 45.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.8 t -144.17 135.26 25.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -78.99 164.81 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.608 ' CD1' HG13 ' A' ' 105' ' ' VAL . 47.7 mt -91.79 107.5 19.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -106.67 -44.83 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 1.9 m-85 -105.82 150.63 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -127.56 97.47 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 47' ' ' SER . 85.0 t -78.86 121.15 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -105.99 102.72 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.724 HG12 ' H ' ' A' ' 135' ' ' SER . 1.0 OUTLIER -62.45 -174.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.724 ' H ' HG12 ' A' ' 134' ' ' VAL . 39.3 t -175.48 173.58 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.3 m -100.94 -32.1 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -115.26 155.42 16.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -20.56 34.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.2 m -88.18 164.68 15.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 64.7 p 41.13 45.57 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -55.61 -60.83 2.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -65.6 121.19 14.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.81 168.21 40.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -113.14 -70.93 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.827 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -44.89 131.36 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.08 138.1 9.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 63.79 39.93 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 12' ' ' THR . 4.4 m120 -165.54 111.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -57.45 83.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' ASN . 90.2 m -121.29 -65.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -81.02 -50.43 9.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.03 -50.19 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -41.88 91.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -57.92 -34.79 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 20' ' ' LEU . 12.8 tt0 -57.33 -37.71 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.39 -41.11 62.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -88.39 18.53 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 17' ' ' GLU . 32.5 mt -126.48 -32.23 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.39 124.86 22.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.35 -32.32 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 59.1 mmtt -51.49 136.89 32.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.76 36.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.457 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 17.0 p-90 -94.02 -30.61 14.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 24.6 t80 -58.6 96.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -66.58 -14.32 62.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.51 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.5 -138.12 21.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.29 51.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.3 t -85.5 171.36 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.39 135.42 39.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 27.2 ttt180 -44.32 -40.11 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -57.64 -54.61 44.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.516 ' HB3' HG21 ' A' ' 134' ' ' VAL . 4.9 m -52.97 -39.63 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -56.98 -36.92 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -80.95 -39.78 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.47 -55.18 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.683 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -55.41 -24.59 31.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.771 HD22 ' HB2' ' A' ' 67' ' ' PHE . 27.3 mt -83.82 -51.03 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -58.38 -30.68 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 42' ' ' SER . 18.9 ptt180 -73.35 -30.86 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 7.9 t -59.19 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 t30 63.87 35.61 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' ASP . 22.1 mtpp -128.76 82.3 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' LYS . 1.1 p-10 -37.15 117.99 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.36 -16.47 6.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -62.08 156.51 21.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 20.7 p90 -157.0 156.51 33.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 49' ' ' LEU . 4.0 pp -162.35 130.92 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.558 HD13 ' HA ' ' A' ' 64' ' ' LEU . 9.1 mm -89.9 118.16 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 21.1 ptt180 -109.53 126.89 54.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -63.83 141.48 58.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 p -44.04 132.55 5.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -90.01 -55.59 3.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.98 -171.69 32.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -89.28 81.0 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.23 175.04 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.8 m -113.04 -63.98 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -108.97 26.9 10.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -120.94 83.35 37.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.588 0.708 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.463 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.78 -40.15 5.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.463 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 19.1 m-85 -145.19 178.39 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.1 m -151.14 126.09 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.558 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.6 tp -82.82 136.9 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.418 HG21 ' HD3' ' A' ' 51' ' ' ARG . 21.8 t -122.91 100.21 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.19 115.27 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.771 ' HB2' HD22 ' A' ' 39' ' ' LEU . 48.6 t80 -83.32 118.69 23.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -104.29 177.48 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -47.02 91.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' PHE . 33.9 mmtm 60.54 38.07 19.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -149.4 157.0 42.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.2 t -130.98 123.76 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -114.56 117.67 31.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -97.81 102.25 13.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 63' ' ' THR . 34.6 mt -97.29 122.05 56.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 127.03 14.02 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.358 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.91 80.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -63.03 159.06 17.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 40.8 t80 -128.7 126.04 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.8 96.7 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' ALA . 3.6 tp10 -55.19 -40.83 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -37.38 -44.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 p -123.32 8.39 9.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 25.7 mmtm 53.61 38.52 28.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -107.4 -179.08 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.541 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.8 m-85 -127.52 156.9 41.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.884 ' C ' HD23 ' A' ' 88' ' ' LEU . . . -152.21 166.43 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.884 HD23 ' C ' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -108.88 166.95 10.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.68 169.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.428 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -67.15 -175.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -44.51 141.2 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -166.51 133.35 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -89.25 109.58 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.1 48.28 2.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.495 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -111.88 158.65 19.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -69.22 141.51 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.458 ' O ' ' CG ' ' A' ' 98' ' ' PHE . 71.3 m-85 -112.31 -179.77 3.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.541 ' CD2' HG12 ' A' ' 104' ' ' ILE . 91.4 m-85 -159.07 115.83 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -37.2 -40.13 0.54 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.8 m -147.95 177.92 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.399 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.463 ' HA ' HD12 ' A' ' 104' ' ' ILE . 92.4 t -68.69 -42.04 82.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.53 -43.05 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -56.9 -37.64 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 86' ' ' TYR . 72.8 mt -58.77 -45.0 91.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.57 HG13 HD13 ' A' ' 128' ' ' LEU . 96.4 t -72.7 -50.79 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -57.8 -56.78 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -54.98 -23.22 18.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.736 ' CD2' HD22 ' A' ' 113' ' ' LEU . 2.0 m-70 -89.31 -35.23 16.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -37.61 -39.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -101.78 -50.87 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' HIS . 76.4 m-20 -77.85 138.39 61.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 143.64 51.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.736 HD22 ' CD2' ' A' ' 108' ' ' HIS . 9.7 tp -106.25 89.71 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.3 t -49.04 115.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.563 ' CD2' HD11 ' A' ' 75' ' ' ILE . 9.4 mt -97.73 83.63 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 39.7 mm -69.2 108.08 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 118' ' ' SER . 26.4 t0 -104.17 99.04 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 119' ' ' GLN . 33.3 t -36.56 -48.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 118' ' ' SER . 18.5 tt0 -34.89 -47.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -128.39 142.51 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -80.95 46.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 56.5 p -101.54 157.62 16.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -119.78 81.12 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -99.99 158.85 15.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.2 p -163.41 147.4 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.1 t -147.89 144.76 28.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -93.2 134.7 35.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.57 HD13 HG13 ' A' ' 105' ' ' VAL . 22.7 mt -56.93 113.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -112.55 -40.42 4.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 18.2 m-85 -111.78 159.42 18.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.75 96.41 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.11 133.07 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -113.34 103.58 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.683 HG23 ' HB2' ' A' ' 38' ' ' ALA . 1.8 p -83.45 29.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.9 m -96.85 31.64 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 18.9 t -100.48 147.71 25.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 82.32 160.41 27.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 174.96 8.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.2 t -105.99 -56.85 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 87.1 p -69.57 121.71 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 p -51.2 134.94 26.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.4 p 44.99 41.84 5.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.55 103.11 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.54 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.2 p -172.25 159.67 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -130.3 -53.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.15 84.13 0.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.61 3.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -60.01 -61.19 2.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -80.84 142.85 33.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.8 p -95.76 80.31 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.564 ' HB ' ' CE1' ' A' ' 13' ' ' PHE . 68.8 p -110.96 143.9 40.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER 40.58 25.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -93.09 -40.69 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.22 -40.54 77.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.401 ' NE2' ' CE1' ' A' ' 86' ' ' TYR . 5.3 mm100 -60.22 -33.26 72.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.736 ' HA ' HD12 ' A' ' 20' ' ' LEU . 7.2 tt0 -59.42 -37.3 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.12 -44.12 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -87.0 22.54 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 17' ' ' GLU . 31.4 mt -129.3 -31.52 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.41 129.06 38.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.45 -33.82 5.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 69.6 mmtt -51.38 139.2 27.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -21.81 32.87 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.73 2.286 . . . . 0.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CZ3' HG13 ' A' ' 50' ' ' ILE . 26.7 p-90 -91.31 -15.22 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.514 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 37.7 t80 -74.26 97.56 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.931 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.87 -14.5 63.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.064 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.514 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.94 -158.17 46.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.14 42.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.727 0.298 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.6 p -73.87 -177.47 2.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' SER . 3.2 m-20 -106.02 139.92 39.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 32' ' ' ARG . 20.1 ttp-105 -37.22 -43.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -59.71 -45.07 93.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.901 ' HB3' HG21 ' A' ' 134' ' ' VAL . 4.6 m -63.12 -44.03 96.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.645 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -61.78 -47.85 83.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.599 ' HG2' HG11 ' A' ' 72' ' ' VAL . 50.4 mt-10 -65.94 -49.78 66.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -51.8 -58.95 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 41' ' ' ARG . . . -48.47 -28.88 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.716 HD22 ' CB ' ' A' ' 67' ' ' PHE . 36.7 mt -81.1 -57.8 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.418 ' CE1' HG23 ' A' ' 72' ' ' VAL . 26.9 m-70 -52.62 -31.72 38.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 38' ' ' ALA . 4.0 ptm180 -78.0 -27.59 49.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -67.89 -46.55 71.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 61.5 43.3 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.577 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 30.3 mttt -129.27 84.05 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.07 123.51 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.29 -21.32 10.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 m -56.75 160.21 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 26.6 p90 -160.22 160.64 32.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.931 HD13 ' HB2' ' A' ' 27' ' ' ALA . 2.4 pp -162.92 129.68 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.562 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 9.5 mm -86.84 118.36 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -104.27 131.91 51.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -83.23 135.43 34.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 t -83.38 -179.35 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 m -174.96 171.35 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' HIS . . . 58.44 166.07 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 55' ' ' GLY . 2.0 t-160 -35.99 123.65 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -175.1 -178.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.5 m -76.74 -172.93 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -77.02 43.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -103.33 97.66 10.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.88 9.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.456 ' CD2' HG21 ' A' ' 101' ' ' VAL . 12.9 m-85 -145.49 167.1 23.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 75' ' ' ILE . 69.7 m -142.74 121.75 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.192 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.6 tp -80.5 136.42 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 t -124.3 100.11 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.6 120.25 29.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.716 ' CB ' HD22 ' A' ' 39' ' ' LEU . 41.0 t80 -90.1 116.77 28.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.05 -173.89 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 3.3 m120 -49.31 86.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' PHE . 26.3 mmmt 64.83 24.97 12.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 2.1 mmp_? -127.21 164.41 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.599 HG11 ' HG2' ' A' ' 36' ' ' GLU . 82.7 t -139.79 122.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -118.93 113.24 20.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -97.93 100.68 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.623 ' O ' HG23 ' A' ' 63' ' ' THR . 27.1 mt -100.24 124.18 44.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.04 20.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.79 77.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -54.79 171.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -136.37 111.98 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.47 103.6 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 82' ' ' ALA . 25.6 tt0 -64.63 -35.9 82.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.79 -37.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 p -134.11 2.68 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 62.63 40.5 10.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -111.05 -175.93 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.47 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.1 m-85 -134.76 144.62 47.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -132.63 167.68 19.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -104.61 135.32 46.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.54 176.93 51.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -102.3 -13.23 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -164.83 139.0 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -172.1 151.11 2.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -91.98 104.14 16.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.91 56.53 2.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.52 151.97 22.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -92.95 136.72 33.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -96.0 158.16 15.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CD2' HG12 ' A' ' 104' ' ' ILE . 90.1 m-85 -133.48 145.97 50.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.46 -37.18 92.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -154.19 173.8 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.456 HG21 ' CD2' ' A' ' 62' ' ' TYR . 90.2 t -64.03 -46.73 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.4 t -50.89 -40.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -59.29 -43.81 92.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.527 HG12 ' CD2' ' A' ' 98' ' ' PHE . 75.0 mt -51.89 -32.8 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.07 -41.68 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -64.74 -58.8 5.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -54.55 -26.9 34.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.512 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.8 OUTLIER -79.5 -40.12 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 108' ' ' HIS . 26.8 mt-30 -36.68 -42.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -99.77 -41.6 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -89.65 131.06 41.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.419 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 53.8 Cg_endo -69.74 142.45 48.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.392 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 108' ' ' HIS . 46.1 tp -101.8 84.17 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 89.5 t -33.61 128.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.6 mt -118.54 84.18 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.734 ' H ' HD12 ' A' ' 116' ' ' ILE . 4.8 mp -61.91 92.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -39.6 -52.74 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 119' ' ' GLN . 2.4 m -159.35 179.05 9.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 118' ' ' SER . 37.1 mt-30 -34.72 -45.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -38.78 151.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -62.57 -26.69 68.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.1 p -47.82 115.14 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.42 ' HB2' ' CG1' ' A' ' 114' ' ' VAL . 10.1 ptmt -133.45 99.67 4.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.61 121.03 32.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 14.9 p -108.4 145.97 33.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -147.16 138.59 24.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 24.5 mtm180 -89.86 131.33 35.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 26.7 mt -54.28 121.47 8.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -124.67 -35.34 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.577 ' CD2' ' HD3' ' A' ' 44' ' ' LYS . 2.1 m-85 -111.97 148.14 34.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.64 98.58 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 99.6 t -88.5 132.3 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -119.31 103.76 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.901 HG21 ' HB3' ' A' ' 34' ' ' SER . 13.8 p -43.57 -35.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.3 t -64.64 -41.3 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.4 ' O ' ' HD2' ' A' ' 138' ' ' PRO . 8.4 t -52.5 149.84 5.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.38 -105.11 2.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 136' ' ' SER . 53.5 Cg_endo -69.73 121.35 8.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.9 t -61.62 113.91 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 141' ' ' GLY . 3.6 m -39.81 101.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 140' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -98.92 92.11 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -139.31 172.34 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.45 51.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -106.39 119.83 40.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -149.74 177.82 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.35 -82.8 1.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.26 54.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -40.3 -62.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -63.36 141.64 58.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -107.27 109.26 21.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.8 m -75.36 -59.54 2.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -45.01 -42.28 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.82 -45.33 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.09 -43.47 73.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -62.39 -43.12 99.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.741 ' HA ' HD12 ' A' ' 20' ' ' LEU . 6.2 tt0 -49.15 -42.65 40.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.15 -42.58 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -93.48 26.7 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.741 HD12 ' HA ' ' A' ' 17' ' ' GLU . 31.2 mt -130.4 -32.16 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.619 HD23 ' HE2' ' A' ' 26' ' ' TYR . 52.5 mt -61.86 127.08 29.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.91 -36.2 4.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.474 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -43.07 138.32 2.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -4.26 13.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -113.74 -24.75 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.619 ' HE2' HD23 ' A' ' 21' ' ' LEU . 32.9 t80 -66.7 98.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.649 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -66.15 -21.09 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 83.48 -124.91 6.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.27 39.55 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.4 162.32 27.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.43 165.34 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -61.36 -36.55 80.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.3 tttt -63.39 -61.91 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.643 ' HB3' HG11 ' A' ' 134' ' ' VAL . 15.1 m -43.13 -40.4 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.44 -41.34 93.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.25 -28.02 61.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.06 -58.81 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.67 -23.49 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.594 HD22 ' HB2' ' A' ' 67' ' ' PHE . 46.8 mt -86.79 -51.22 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -61.27 -30.22 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.9 ptt85 -72.28 -36.46 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 t -57.34 -45.52 84.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 61.42 40.81 13.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 34.3 mtpt -132.33 82.22 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -36.65 121.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.03 -26.22 5.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 m -51.62 159.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.635 ' CG ' HD22 ' A' ' 128' ' ' LEU . 24.4 p90 -161.16 151.41 17.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.649 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.9 pp -156.76 134.23 10.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.738 HD13 ' HA ' ' A' ' 64' ' ' LEU . 18.9 mm -91.76 126.56 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -115.22 127.61 55.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -67.81 140.49 56.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.9 t -110.1 169.82 8.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -117.61 174.72 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.92 -172.31 0.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.419 ' CD2' ' H ' ' A' ' 57' ' ' ASP . 22.0 p-80 -64.65 -60.3 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.831 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 4.6 t70 43.34 52.5 5.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LYS . 39.8 m 61.24 54.99 3.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 59' ' ' LYS . 7.1 mptt 37.13 37.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 0.8 OUTLIER -103.16 95.46 6.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.703 . . . . 0.0 110.904 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 60' ' ' GLN . 53.6 Cg_endo -69.73 -38.73 7.46 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -131.19 168.16 17.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 75' ' ' ILE . 85.6 m -142.75 128.65 19.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.738 ' HA ' HD13 ' A' ' 50' ' ' ILE . 8.4 tp -87.0 125.77 34.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.496 HG22 ' HB3' ' A' ' 74' ' ' ASN . 45.9 t -114.98 103.83 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.25 120.87 33.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.594 ' HB2' HD22 ' A' ' 39' ' ' LEU . 49.1 t80 -83.44 122.02 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -109.85 178.76 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -45.43 92.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' PHE . 34.1 mmtm 58.19 36.89 26.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HG2' ' C ' ' A' ' 70' ' ' LYS . 20.9 mmt85 -145.5 169.7 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.7 t -147.06 122.26 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -116.83 112.54 21.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.496 ' HB3' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -99.08 99.92 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 63' ' ' THR . 24.4 mt -94.12 127.6 44.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 120.85 7.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.362 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.472 HG12 ' HD2' ' A' ' 86' ' ' TYR . 95.6 t -83.6 79.81 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 -59.44 155.88 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -129.8 123.64 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 80' ' ' ILE . 4.5 mp -101.77 118.81 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 82' ' ' ALA . 49.3 tt0 -71.37 -37.39 71.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.94 -40.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 38.5 p -132.07 6.4 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.32 39.21 28.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 97' ' ' TYR . 30.8 mt-30 -110.85 176.37 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.546 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 51.0 m-85 -119.58 152.26 37.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.18 169.18 18.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.31 133.29 55.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.7 174.75 26.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -98.01 -13.11 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 91' ' ' LYS . 12.0 tmtt? -155.43 130.42 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 93' ' ' ASN . 4.7 tppp? -164.37 148.65 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.448 ' N ' ' HG3' ' A' ' 92' ' ' LYS . 4.5 t-20 -81.63 118.27 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.06 49.9 73.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.83 124.26 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.321 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.06 130.45 40.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.444 ' C ' ' OE1' ' A' ' 85' ' ' GLN . 94.0 m-85 -88.78 133.99 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -110.82 157.51 19.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.62 -39.45 67.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.451 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.546 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.5 m -155.88 177.15 11.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.554 ' HA ' HD12 ' A' ' 104' ' ' ILE . 86.2 t -60.96 -48.89 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -49.21 -51.01 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -50.64 -44.8 57.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 101' ' ' VAL . 87.4 mt -51.14 -43.38 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.446 HG13 HD13 ' A' ' 128' ' ' LEU . 97.0 t -76.57 -55.12 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.43 ' HA ' ' CD ' ' A' ' 109' ' ' GLN . 34.6 m-20 -47.76 -51.49 22.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -64.7 -50.65 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.606 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -51.16 -44.66 61.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 108' ' ' HIS . 58.8 mt-30 -33.86 -40.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -99.97 -45.74 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -86.29 132.68 42.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.44 47.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.606 HD22 ' CD2' ' A' ' 108' ' ' HIS . 21.2 tp -113.92 92.87 4.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 113' ' ' LEU . 7.6 p -36.58 139.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.557 HD23 HD11 ' A' ' 75' ' ' ILE . 47.1 mt -126.68 131.4 51.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.524 HD11 ' HE3' ' A' ' 123' ' ' LYS . 41.3 mt -132.93 147.12 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -104.26 88.44 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.6 t 53.54 48.34 21.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.408 ' HA ' HG21 ' A' ' 116' ' ' ILE . 19.5 tt0 49.17 46.14 22.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.521 ' O ' HG23 ' A' ' 122' ' ' THR . 52.9 m-20 -86.26 37.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 48.97 44.3 22.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 120' ' ' ASN . 58.9 p -144.02 115.56 8.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.524 ' HE3' HD11 ' A' ' 116' ' ' ILE . 44.4 mttp -116.42 93.61 4.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.5 m-20 -109.13 92.52 4.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 85.6 p -80.17 159.04 26.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.8 t -171.04 140.22 1.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -89.83 140.13 29.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.635 HD22 ' CG ' ' A' ' 48' ' ' PHE . 30.2 mt -59.74 114.51 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -112.27 -44.03 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.582 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.9 m-85 -109.25 154.1 22.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -128.26 94.86 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.6 102.56 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -94.16 111.25 22.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.754 HG12 ' H ' ' A' ' 135' ' ' SER . 1.4 t -52.75 -175.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.754 ' H ' HG12 ' A' ' 134' ' ' VAL . 79.3 p -174.92 116.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.3 p -92.29 170.31 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -176.17 71.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 135.75 31.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.713 2.276 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.3 t -154.03 143.39 21.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.4 t 68.72 42.12 1.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m 50.28 41.64 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 110.901 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 4' ' ' GLY . 19.4 m -144.17 138.11 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.1 62.31 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -107.66 83.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.389 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -72.43 106.36 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.29 77.89 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 9' ' ' PHE . 53.8 Cg_endo -69.75 92.32 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' PRO . 84.7 m-85 34.44 42.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -127.01 89.94 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.9 p -99.23 52.46 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.8 p -70.18 -56.35 7.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.194 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' ALA . 8.9 m-85 -74.15 -48.93 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -34.8 -48.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.0 -47.64 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' PHE . 16.7 mm100 -56.42 -37.5 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.65 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.1 tp10 -55.12 -40.14 70.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.35 -32.68 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -98.12 24.9 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 17' ' ' GLU . 39.6 mt -129.0 -30.59 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.713 HD23 ' HE2' ' A' ' 26' ' ' TYR . 51.0 mt -65.64 128.18 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.54 -33.35 6.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -45.16 138.65 4.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.25 15.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 25.9 p-90 -113.05 -25.2 9.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.713 ' HE2' HD23 ' A' ' 21' ' ' LEU . 23.5 t80 -66.32 95.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.732 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -69.51 -16.3 63.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.492 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.35 -149.26 35.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.76 46.8 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.312 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.5 t -83.4 163.39 20.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.02 141.22 58.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -50.42 -54.41 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -45.11 -57.13 4.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.54 ' HB3' HG21 ' A' ' 134' ' ' VAL . 66.9 m -50.61 -49.83 55.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -50.37 -46.55 56.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -69.34 -39.54 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -61.96 -59.58 4.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.19 -25.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.577 ' CD1' HG12 ' A' ' 65' ' ' VAL . 19.1 mt -88.31 -46.56 9.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -61.61 -29.01 69.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -71.83 -41.22 68.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -53.67 -52.41 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 68.75 42.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 37.9 mtpt -131.33 85.73 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.62 113.64 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.69 -24.7 3.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.488 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 4.4 m -51.66 154.3 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.796 ' HB3' HD22 ' A' ' 128' ' ' LEU . 20.7 p90 -153.6 156.93 38.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.775 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.3 pp -166.43 126.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 64' ' ' LEU . 11.0 mm -86.94 124.97 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -114.15 121.59 44.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 53' ' ' SER . 15.6 tttm -43.56 152.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' LYS . 7.9 p -34.64 140.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -51.33 -43.99 61.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.3 -36.07 0.65 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.531 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -113.62 86.68 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 2.1 p30 -175.09 159.67 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.0 m -130.59 -44.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 39.9 mmtt -73.42 -27.27 61.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -106.12 88.08 2.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.701 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 59' ' ' LYS . 53.8 Cg_endo -69.74 -35.86 11.94 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.516 ' CD2' HG21 ' A' ' 101' ' ' VAL . 50.1 m-85 -133.44 172.91 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.937 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 75' ' ' ILE . 60.1 m -145.58 145.72 31.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.648 ' HA ' HD13 ' A' ' 50' ' ' ILE . 21.5 tp -100.25 145.54 27.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.577 HG12 ' CD1' ' A' ' 39' ' ' LEU . 59.4 t -131.21 97.88 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.28 122.3 36.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -93.16 115.99 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.513 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -103.6 -171.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -47.35 95.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm 52.52 49.57 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.513 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 9.6 ptp180 -169.28 168.79 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.574 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 64.0 t -144.28 143.62 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -120.05 125.47 48.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -102.25 101.19 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.437 ' O ' HG23 ' A' ' 63' ' ' THR . 22.7 mt -104.1 122.94 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.698 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.695 2.264 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.5 t -83.88 80.26 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -58.78 170.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 7.6 t80 -145.71 118.78 8.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 80' ' ' ILE . 4.8 mp -90.18 128.76 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' ALA . 30.6 tt0 -78.12 -48.32 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -35.53 -37.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.4 p -125.09 -2.64 7.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 8.2 mmmm 55.63 41.89 30.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -114.19 169.38 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.465 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 59.0 m-85 -108.16 153.73 22.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.09 167.24 22.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.42 135.18 50.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.432 ' H ' HG22 ' A' ' 75' ' ' ILE . . . 69.28 -176.41 30.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -101.04 -13.38 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -160.91 137.89 8.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -167.37 117.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -54.0 118.95 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 54.64 62.09 6.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.83 141.6 28.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -84.91 133.12 34.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.06 145.31 24.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.447 ' CD1' HG12 ' A' ' 104' ' ' ILE . 7.1 m-85 -120.2 163.86 17.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.05 -38.92 21.44 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.465 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.5 m -148.35 175.98 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.516 HG21 ' CD2' ' A' ' 62' ' ' TYR . 89.7 t -65.82 -45.37 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.067 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.5 t -51.55 -44.75 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -57.49 -43.81 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.547 ' O ' ' CG ' ' A' ' 108' ' ' HIS . 93.9 mt -54.38 -38.83 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.7 t -78.34 -54.63 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -49.99 -48.71 52.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -66.8 -42.9 85.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.798 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.6 OUTLIER -60.3 -39.54 87.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -37.92 -42.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.495 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 6.1 m80 -97.59 -51.76 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 108' ' ' HIS . 37.4 m-80 -80.69 134.49 53.86 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.64 0.733 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 144.04 52.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.798 HD22 ' CD2' ' A' ' 108' ' ' HIS . 43.8 tp -111.01 84.82 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.48 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 9.7 p -43.73 131.05 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.2 mt -115.7 90.94 3.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.543 HD11 ' HZ2' ' A' ' 123' ' ' LYS . 66.6 mt -93.07 86.14 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 118' ' ' SER . 22.2 t0 -89.11 113.03 24.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' ASP . 13.7 p -34.35 -36.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 117' ' ' ASP . 17.6 mm-40 -52.79 99.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 121' ' ' ASN . 46.1 m-20 61.67 30.67 18.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 121' ' ' ASN . 2.1 p-10 36.02 49.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.5 p -82.83 99.68 9.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.543 ' HZ2' HD11 ' A' ' 116' ' ' ILE . 21.7 tttp -99.8 109.13 21.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 1.3 m-20 -139.33 126.39 21.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 28.4 p -109.78 143.1 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.2 t -151.48 154.4 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 110' ' ' HIS . 10.9 mtm-85 -103.01 116.45 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.796 HD22 ' HB3' ' A' ' 48' ' ' PHE . 48.2 mt -41.69 111.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -112.59 -40.37 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.6 m-85 -110.05 145.34 37.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -122.51 95.08 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 93.0 t -98.33 116.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -104.54 131.34 52.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.732 HG12 ' HB1' ' A' ' 27' ' ' ALA . 6.0 p -84.47 163.98 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.452 ' N ' HG22 ' A' ' 134' ' ' VAL . 8.4 t -164.25 111.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.5 t -148.45 129.99 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.47 172.83 54.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 130.78 19.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.2 t -125.16 101.1 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.7 t -104.84 129.31 53.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 m 54.61 42.03 31.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -56.69 134.1 54.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.33 -112.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 6' ' ' SER . 21.1 t -75.0 -44.24 49.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.833 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 5' ' ' SER . 53.1 m -37.42 116.67 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.23 169.7 32.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 146.37 60.14 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.62 -51.87 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -111.82 159.57 18.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.8 m -88.86 109.0 19.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.0 m -124.25 -61.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.178 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 61' ' ' PRO . 9.6 m-85 -61.03 -48.38 82.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.06 -43.31 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.32 -50.71 71.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -57.13 -38.08 72.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.672 ' HA ' HD12 ' A' ' 20' ' ' LEU . 5.9 tt0 -51.41 -41.76 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.74 -35.71 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.43 25.8 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 17' ' ' GLU . 39.3 mt -129.52 -31.68 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.815 HD23 ' HE2' ' A' ' 26' ' ' TYR . 28.5 mt -64.06 129.7 41.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.42 -34.56 5.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.521 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 26' ' ' TYR . 36.4 mmtt -48.79 140.9 10.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -19.35 36.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.544 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 29.0 p-90 -99.82 -24.85 14.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.815 ' HE2' HD23 ' A' ' 21' ' ' LEU . 28.3 t80 -70.07 94.64 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.552 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.22 -20.28 64.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.47 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 76.37 -149.27 36.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.51 47.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.4 m -90.38 159.42 16.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.02 158.28 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 21.0 ttm105 -66.1 -42.53 89.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -48.47 -58.35 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 m -57.07 -32.02 65.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -45.13 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -73.88 -39.04 64.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.29 -55.37 14.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' HG11 ' A' ' 132' ' ' VAL . . . -53.49 -25.24 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 67' ' ' PHE . 31.1 mt -85.52 -48.87 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.405 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 25.3 m-70 -61.49 -30.33 70.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.3 ptm180 -71.78 -33.81 68.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.467 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 14.4 t -60.78 -46.92 88.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 t30 64.81 37.52 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 12.1 mmmt -123.76 83.74 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.59 115.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.14 -19.76 6.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 m -53.37 152.65 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.658 ' HB3' HD22 ' A' ' 128' ' ' LEU . 26.9 p90 -149.21 151.29 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.8 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.5 pp -158.7 130.47 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.423 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 6.4 mm -87.92 135.43 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 51' ' ' ARG . 1.2 ptm85 -128.98 122.78 30.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -64.05 139.56 58.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -49.47 126.57 13.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 m -56.61 -40.47 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -105.37 126.37 8.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -42.97 102.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -138.07 130.34 28.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 t -78.41 -38.37 41.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -58.63 -44.29 89.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -119.82 88.72 40.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.72 -42.96 2.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.486 ' CD2' HG21 ' A' ' 101' ' ' VAL . 44.7 m-85 -140.61 168.49 19.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 75' ' ' ILE . 22.4 m -143.33 122.76 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' CD2' ' CD1' ' A' ' 113' ' ' LEU . 25.5 tp -81.89 141.49 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 24.5 t -125.14 97.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.56 119.33 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.477 ' HB2' HD22 ' A' ' 39' ' ' LEU . 62.0 t80 -88.91 116.52 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.21 -176.03 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.468 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 34.8 p-10 -48.15 87.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 68' ' ' PHE . 30.5 mmtp 64.24 32.58 12.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -142.59 163.94 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 59.0 t -137.67 122.65 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.594 ' CE2' ' OD2' ' A' ' 117' ' ' ASP . 4.8 m-85 -110.16 118.18 35.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -96.71 104.48 16.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.488 HD11 HD23 ' A' ' 115' ' ' LEU . 42.3 mt -103.97 120.88 49.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 118.67 5.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.9 t -89.03 83.71 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 mtt85 -65.75 163.92 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 31.9 t80 -131.03 130.63 43.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.9 126.24 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' ALA . 34.8 tt0 -73.91 -41.6 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.37 -53.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 p -117.71 8.54 12.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 26.7 mmtm 50.75 42.32 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -111.82 -178.15 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.514 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 33.6 m-85 -122.97 151.83 41.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.869 ' C ' HD23 ' A' ' 88' ' ' LEU . . . -143.57 172.26 13.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.869 HD23 ' C ' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -109.48 163.01 13.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 44.82 -161.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -81.01 172.82 13.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -58.66 131.14 49.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -135.86 154.78 51.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -64.36 -47.82 77.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -104.27 57.83 0.52 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -102.89 143.73 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.23 137.48 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -95.19 163.78 13.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD2' HG12 ' A' ' 104' ' ' ILE . 78.4 m-85 -142.84 120.08 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.58 -44.29 0.43 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.514 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.6 m -154.49 179.94 8.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.486 HG21 ' CD2' ' A' ' 62' ' ' TYR . 89.9 t -61.57 -52.18 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.181 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.533 HG12 ' ND2' ' A' ' 106' ' ' ASN . 84.4 t -49.04 -40.24 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -59.97 -43.52 95.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 98' ' ' PHE . 68.4 mt -51.77 -33.97 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.42 HG13 ' CD1' ' A' ' 128' ' ' LEU . 92.3 t -86.25 -50.33 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.533 ' ND2' HG12 ' A' ' 102' ' ' VAL . 25.9 m-20 -50.65 -51.96 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.72 -45.2 83.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 1.6 m-70 -54.06 -38.89 65.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' HIS . 55.6 mt-30 -34.32 -36.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 108' ' ' HIS . 21.4 m170 -97.58 -53.6 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -81.81 128.33 69.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 139.17 39.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.351 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.461 ' CD1' ' CD2' ' A' ' 64' ' ' LEU . 2.1 tt -86.01 89.86 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.742 HG21 ' HD2' ' A' ' 123' ' ' LYS . 5.4 p -51.99 116.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.488 HD23 HD11 ' A' ' 75' ' ' ILE . 18.3 mt -99.35 110.21 22.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 96.8 mt -106.21 108.91 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 73' ' ' TYR . 25.9 m-20 -115.91 94.9 4.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 117' ' ' ASP . 4.0 m -33.88 -57.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 120' ' ' ASN . 29.6 pt20 -39.64 -47.9 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 119' ' ' GLN . 55.6 m-80 -78.37 -47.7 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 73.53 43.57 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.3 p -139.78 109.8 6.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.742 ' HD2' HG21 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -63.51 96.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 114' ' ' VAL . 1.1 m-20 -105.52 177.9 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.2 p -170.31 151.78 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.2 t -164.83 142.41 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 -94.38 138.02 32.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.658 HD22 ' HB3' ' A' ' 48' ' ' PHE . 32.4 mt -60.84 106.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -112.38 -43.82 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.568 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 1.9 m-85 -103.75 148.02 26.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.88 100.55 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 38' ' ' ALA . 85.6 t -88.05 147.04 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -121.45 144.68 48.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.99 146.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.1 t -175.69 163.27 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 96.2 p -89.54 131.93 35.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -122.67 161.63 16.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.68 13.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 74.7 m -122.76 -56.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.3 t -95.43 143.36 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.528 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -54.16 176.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -128.52 40.84 3.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.75 139.9 0.13 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t -96.98 111.01 23.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -128.95 115.56 18.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' CD2' ' A' ' 9' ' ' PHE . . . 123.17 75.38 0.31 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 103.39 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.725 2.283 . . . . 0.0 112.322 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.718 ' O ' HG23 ' A' ' 12' ' ' THR . 11.9 m-85 -123.91 117.0 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' SER . 31.4 t30 39.69 40.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' ASN . 46.0 m 34.57 43.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 9' ' ' PHE . 42.5 p -52.59 -178.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 61' ' ' PRO . 6.6 m-85 -36.42 -36.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -36.38 -50.58 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.5 -47.71 75.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -57.57 -42.65 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 20' ' ' LEU . 33.6 tt0 -42.96 -42.17 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.37 -41.24 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -84.19 16.6 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 17' ' ' GLU . 30.0 mt -127.22 -32.52 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.41 HD23 ' HE2' ' A' ' 26' ' ' TYR . 62.2 mt -59.57 136.48 58.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 -32.62 6.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -51.58 139.1 29.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -11.25 30.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.584 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 33.7 p-90 -106.79 -27.26 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 30.0 t80 -68.03 98.94 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.512 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -72.4 -16.16 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.466 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 83.68 -115.95 4.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.14 45.07 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.727 0.299 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.0 m -83.3 151.58 25.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -76.11 133.23 40.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -40.39 -40.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -51.67 -61.83 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -55.97 -35.12 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.521 ' HB1' HD21 ' A' ' 49' ' ' LEU . . . -62.84 -41.91 99.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -70.7 -34.02 71.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -68.87 -58.87 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.72 -24.94 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.401 HD22 ' CB ' ' A' ' 67' ' ' PHE . 20.1 mt -84.63 -47.32 10.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.96 -29.87 69.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 42' ' ' SER . 4.7 ptm180 -74.83 -33.98 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.477 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 41.4 t -59.32 -49.73 76.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.29 45.21 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.459 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 37.4 mttp -133.54 83.05 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.11 114.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 130.7 -20.74 4.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 m -56.34 150.51 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.788 ' HB3' HD22 ' A' ' 128' ' ' LEU . 27.7 p90 -151.49 151.88 32.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.703 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.9 pp -157.44 127.08 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 64' ' ' LEU . 20.7 mm -85.17 126.92 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -118.41 124.67 48.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -61.42 141.06 57.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.8 t -71.52 119.17 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 p -90.03 81.02 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.48 -174.32 36.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.523 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -102.7 41.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -115.62 164.2 14.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m -121.48 -35.98 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.824 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -49.82 -40.02 40.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -113.49 87.24 11.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.486 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.75 -47.65 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.238 . . . . 0.0 112.371 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -130.05 -179.03 4.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.4 m -149.99 135.02 17.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD21 HD11 ' A' ' 113' ' ' LEU . 15.7 tp -91.03 147.84 22.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.593 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 43.7 t -133.65 97.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.77 118.11 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CB ' HD22 ' A' ' 39' ' ' LEU . 12.9 t80 -88.03 117.55 26.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.501 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 1.1 t80 -109.85 -177.88 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' PHE . 3.8 t-20 -34.54 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm 42.14 52.31 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 11.1 ptm180 -164.85 170.63 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.593 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 34.8 t -140.86 134.21 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.41 121.97 46.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.41 92.08 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.45 HG22 ' H ' ' A' ' 89' ' ' GLY . 18.9 mt -94.59 117.37 66.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 121.02 7.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.5 t -88.53 103.92 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 78' ' ' ARG . 9.9 mtm105 -84.22 158.84 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -126.67 100.57 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.428 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.2 mp -76.12 88.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -46.86 -43.52 18.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.7 -39.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.3 p -118.05 4.78 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 50.8 40.78 25.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.443 ' CD ' ' HB3' ' A' ' 97' ' ' TYR . 23.9 mt-30 -124.13 176.09 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.639 ' CB ' HD11 ' A' ' 104' ' ' ILE . 85.3 m-85 -113.9 155.34 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.523 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -135.8 169.62 17.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.523 HD22 ' C ' ' A' ' 87' ' ' ALA . 4.0 mm? -117.83 137.51 52.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.45 ' H ' HG22 ' A' ' 75' ' ' ILE . . . 71.5 160.1 3.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -90.0 40.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -161.29 114.62 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -62.95 -73.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 39.16 55.09 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.47 47.34 7.43 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.507 ' OE2' ' CD1' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -90.26 162.7 15.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' A' ' 95' ' ' GLU . 9.9 tm-20 -99.97 143.78 29.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.507 ' CD1' ' OE2' ' A' ' 95' ' ' GLU . 35.4 m-85 -100.11 108.45 20.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.536 ' CD1' HG12 ' A' ' 104' ' ' ILE . 43.9 m-85 -93.42 113.85 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.14 -43.67 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 m -143.77 174.61 10.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 104' ' ' ILE . 94.5 t -62.11 -48.86 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.0 t -49.54 -44.64 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -54.24 -41.17 68.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.639 HD11 ' CB ' ' A' ' 86' ' ' TYR . 76.3 mt -52.85 -47.89 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 99.5 t -69.32 -45.89 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 109' ' ' GLN . 26.6 m-20 -56.42 -69.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -39.94 -33.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-70 -73.04 -39.03 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 106' ' ' ASN . 96.4 mt-30 -36.07 -35.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -101.11 -57.63 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' HIS . 64.6 m-20 -76.01 141.25 71.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.73 41.01 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.381 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 115' ' ' LEU . 2.4 tt -88.28 101.42 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.629 HG21 ' HE2' ' A' ' 123' ' ' LYS . 9.6 p -60.85 134.4 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 113' ' ' LEU . 19.0 mt -131.0 125.15 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.401 ' CG1' ' HD2' ' A' ' 123' ' ' LYS . 4.2 mp -117.41 109.35 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.29 108.93 11.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.2 p -43.5 -46.05 6.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -63.07 -47.25 83.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -114.65 109.9 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -65.63 79.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.7 p -134.63 125.83 27.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.629 ' HE2' HG21 ' A' ' 114' ' ' VAL . 2.5 tptm -88.22 82.82 7.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -103.46 109.57 21.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 89.5 p -104.95 142.92 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.9 t -150.17 134.88 17.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -79.08 143.16 35.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.788 HD22 ' HB3' ' A' ' 48' ' ' PHE . 83.9 mt -70.83 103.87 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -107.05 -44.16 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.459 ' CD2' ' HD3' ' A' ' 44' ' ' LYS . 3.3 m-85 -101.0 150.42 22.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -133.58 105.24 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 90.6 t -94.2 116.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -99.84 97.7 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 134' ' ' VAL . 1.5 t -45.19 -51.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 88.5 p -50.33 94.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.5 t -72.96 148.74 43.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 138.74 -147.77 19.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 169.54 18.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.6 t -170.22 157.68 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 70.5 m -68.2 -50.1 56.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t 50.51 42.07 26.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t 65.43 43.14 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.81 140.62 16.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -128.21 174.18 9.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 t -127.67 -45.43 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.0 93.69 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 172.08 13.28 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -78.43 156.1 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -43.67 106.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 73.2 m -117.93 159.71 22.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m -38.44 -59.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' ALA . 4.3 m-85 -55.86 -50.36 70.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 11' ' ' SER . . . -34.91 -51.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -56.77 15.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -45.98 -47.12 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.943 ' HA ' HD12 ' A' ' 20' ' ' LEU . 56.8 tt0 -47.76 -38.4 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.79 -39.34 62.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.25 28.8 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.943 HD12 ' HA ' ' A' ' 17' ' ' GLU . 19.0 mt -129.65 -31.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.64 126.15 26.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.94 -31.98 6.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 34.0 mmtt -54.9 139.09 63.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.04 31.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.457 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 27.9 p-90 -88.57 -23.72 23.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.523 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 36.9 t80 -69.35 96.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.722 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.42 -17.61 64.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 73.28 -142.51 31.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.25 43.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 111.055 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 t -82.35 160.2 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -59.75 136.38 57.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.474 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 56.9 ttp85 -53.43 -39.22 64.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -62.44 -42.67 99.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.25 -40.9 91.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -51.72 -50.74 59.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -67.1 -39.54 86.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -60.6 -61.79 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.734 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -44.03 -26.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD1' HG12 ' A' ' 65' ' ' VAL . 29.1 mt -87.23 -51.37 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -54.37 -29.11 47.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -77.33 -33.97 55.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -60.93 -49.76 76.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 64.29 45.1 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HD2' ' CE1' ' A' ' 130' ' ' TYR . 21.2 mtmm -134.65 85.04 2.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.36 125.52 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.21 -23.33 8.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 m -55.41 158.83 3.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.831 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.607 ' HB3' HD22 ' A' ' 128' ' ' LEU . 34.5 p90 -159.48 156.97 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.722 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.8 pp -161.6 134.63 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.445 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 16.0 mm -92.04 124.87 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 19.5 ptt180 -116.38 133.83 55.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -70.89 141.16 51.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 t -51.24 169.45 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 t -71.44 -50.61 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 56' ' ' HIS . . . -110.46 39.87 2.75 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.461 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 20.6 t-160 34.51 42.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.825 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -53.39 156.8 2.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -80.5 -46.7 15.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -60.87 -37.03 80.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -128.35 87.15 55.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -38.14 8.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -144.1 175.34 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 75' ' ' ILE . 62.7 m -145.39 129.51 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.586 ' CD2' HD11 ' A' ' 113' ' ' LEU . 51.6 tp -81.92 146.39 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.602 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 64.2 t -132.46 96.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.89 121.72 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.616 ' HD1' HG22 ' A' ' 72' ' ' VAL . 44.2 t80 -91.76 116.23 28.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 124' ' ' ASP . 0.6 OUTLIER -103.58 -173.74 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -44.59 99.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm 47.78 51.52 14.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 16.1 ptt180 -169.75 162.78 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.616 HG22 ' HD1' ' A' ' 67' ' ' PHE . 21.4 t -136.33 135.81 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -116.01 122.45 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -97.79 97.68 9.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 63' ' ' THR . 15.9 mt -96.66 131.08 28.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.657 0.741 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 133.16 24.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.4 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.7 t -104.97 79.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.07 140.76 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.44 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 16.6 t80 -99.55 112.87 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.561 HG13 ' CE2' ' A' ' 97' ' ' TYR . 9.1 mm -73.94 80.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -55.47 -40.19 71.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.23 -48.24 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.5 p -119.36 14.68 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER 53.3 41.64 32.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.429 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 75.2 mt-30 -113.2 -174.83 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.578 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 13.7 m-85 -140.91 136.79 32.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.85 ' C ' HD23 ' A' ' 88' ' ' LEU . . . -137.24 165.27 26.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.892 ' N ' HD23 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -107.1 162.43 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.52 -117.42 9.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.5 mtmm -109.53 -177.54 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -93.18 133.55 36.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 93' ' ' ASN . 8.6 tptm -170.79 159.45 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.446 ' N ' ' HG3' ' A' ' 92' ' ' LYS . 87.6 m-20 -62.77 -63.88 1.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.11 -40.68 36.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -39.98 150.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -87.89 126.24 34.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE2' HG13 ' A' ' 80' ' ' ILE . 3.7 m-85 -115.93 151.32 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.546 ' CD1' HG12 ' A' ' 104' ' ' ILE . 12.3 m-85 -131.38 171.96 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.72 -29.53 35.11 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.578 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 2.2 m -156.82 172.22 19.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.751 ' HA ' HD12 ' A' ' 104' ' ' ILE . 94.4 t -57.96 -53.28 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.9 t -48.71 -43.77 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.99 -42.51 76.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 101' ' ' VAL . 44.8 mt -49.92 -45.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.409 HG13 ' CZ ' ' A' ' 48' ' ' PHE . 98.5 t -72.6 -45.29 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 109' ' ' GLN . 24.4 m-20 -63.8 -67.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -41.98 -28.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-70 -81.18 -36.26 30.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 106' ' ' ASN . 95.7 mt-30 -34.88 -36.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 108' ' ' HIS . 12.1 m-70 -100.69 -53.14 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 108' ' ' HIS . 30.2 m-20 -79.82 138.44 53.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.49 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 53.4 Cg_endo -69.76 140.28 42.29 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.401 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.586 HD11 ' CD2' ' A' ' 64' ' ' LEU . 2.4 tt -85.38 98.0 10.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.6 p -56.75 130.35 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 44.6 mt -123.17 116.67 23.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 24.0 mt -123.67 82.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -46.17 -62.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -132.84 173.2 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -79.71 46.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -109.73 36.2 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 22.3 m120 55.46 43.16 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.7 p -114.44 103.01 10.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -120.9 95.44 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.6 m-20 -108.53 84.3 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.3 p -84.51 134.44 34.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 t -146.58 128.53 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.149 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 23.3 mtt180 -75.94 143.94 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' A' ' 48' ' ' PHE . 41.8 mt -71.71 120.93 17.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -122.82 -42.83 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.418 ' CE1' ' HD2' ' A' ' 44' ' ' LYS . 27.7 m-85 -101.74 149.4 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.3 98.02 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 86.7 t -83.36 139.44 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.93 99.65 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.734 HG23 ' HB2' ' A' ' 38' ' ' ALA . 3.1 p -58.75 163.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.406 ' H ' HG22 ' A' ' 134' ' ' VAL . 95.1 p -161.34 127.49 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.1 t -51.49 132.65 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -127.87 91.12 0.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.36 35.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.7 t -100.35 86.4 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 87.5 p -118.06 115.69 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -163.1 154.69 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -93.22 113.92 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.21 -153.0 47.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 m -100.49 114.67 28.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m -75.31 173.51 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.44 85.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -3.0 11.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 9' ' ' PHE . 7.6 p90 -102.69 176.34 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 11' ' ' SER . 79.1 m-20 -120.9 92.85 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 10' ' ' ASN . 74.7 m 34.34 43.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.2 m -80.26 -45.69 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -95.75 -42.34 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.47 -48.46 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.6 -47.98 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.32 -34.42 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' A' ' 20' ' ' LEU . 38.9 tt0 -56.5 -42.63 78.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.19 -40.8 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -81.65 12.81 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 17' ' ' GLU . 26.8 mt -125.39 -27.73 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.99 124.84 21.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.72 -36.14 4.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -41.95 136.41 2.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -7.13 20.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 15.3 p-90 -110.14 -29.99 7.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 28.5 t80 -59.44 94.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -64.79 -21.21 66.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.528 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 78.2 -152.0 37.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.18 44.5 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.9 p -70.07 179.77 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 32' ' ' ARG . 4.8 m-20 -101.01 131.63 46.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ASP . 61.1 ttp85 -34.9 -42.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -61.55 -62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.753 ' HB3' HG21 ' A' ' 134' ' ' VAL . 10.1 m -45.71 -47.64 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -50.96 -41.93 59.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.155 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' HG2' HG11 ' A' ' 72' ' ' VAL . 49.0 mt-10 -72.21 -40.75 67.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.83 -61.64 2.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -46.42 -23.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.804 HD22 ' HB2' ' A' ' 67' ' ' PHE . 17.2 mt -87.69 -45.9 9.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 27.6 m-70 -64.41 -31.17 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -71.61 -34.65 70.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 t -64.34 -50.82 66.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 t30 64.6 49.05 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.594 ' HD2' ' CD2' ' A' ' 130' ' ' TYR . 20.9 mttt -134.07 93.21 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.455 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 4.6 t0 -51.5 99.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.62 -13.73 2.0 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.3 m -67.69 157.64 34.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.814 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.814 ' CG ' HD22 ' A' ' 128' ' ' LEU . 35.3 p90 -153.25 148.19 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.5 pp -152.59 133.25 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.536 HD13 ' HA ' ' A' ' 64' ' ' LEU . 23.1 mm -93.02 128.31 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' NH1' ' HG3' ' A' ' 32' ' ' ARG . 19.5 ptt180 -114.65 116.8 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.15 135.07 51.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.7 m -70.0 -174.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -112.7 178.48 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . -51.62 -103.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -43.9 102.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 55' ' ' GLY . 11.7 p-10 -174.98 -176.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.0 p -79.16 -172.1 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -75.58 43.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.38 99.02 21.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -38.77 7.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD2' HG21 ' A' ' 101' ' ' VAL . 24.4 m-85 -148.86 174.81 11.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.474 HG23 ' HA ' ' A' ' 76' ' ' PRO . 11.8 m -145.35 117.31 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.86 HD21 HD11 ' A' ' 113' ' ' LEU . 19.4 tp -81.79 133.3 35.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.3 101.2 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.56 112.96 24.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.804 ' HB2' HD22 ' A' ' 39' ' ' LEU . 82.6 t80 -80.18 132.27 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.1 t80 -120.0 168.93 10.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.455 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 25.7 t30 -38.11 92.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' PHE . 19.6 mmtp 59.74 46.33 11.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 49.9 mtp85 -156.85 161.14 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.49 HG11 ' HG2' ' A' ' 36' ' ' GLU . 60.6 t -138.1 120.47 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -114.79 105.27 12.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 74' ' ' ASN . 0.7 OUTLIER -93.82 95.95 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.631 HD11 ' CD2' ' A' ' 115' ' ' LEU . 13.3 mt -87.75 124.32 67.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.474 ' HA ' HG23 ' A' ' 63' ' ' THR . 53.6 Cg_endo -69.75 121.11 7.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 77' ' ' VAL . 96.5 t -89.44 75.36 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -58.46 145.89 37.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -113.13 111.77 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.467 HD12 ' N ' ' A' ' 80' ' ' ILE . 3.7 mp -86.67 118.94 33.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 83' ' ' THR . 10.8 tm-20 -72.65 -53.39 11.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -32.35 -35.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 81' ' ' GLU . 18.5 p -127.43 0.3 6.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' ILE . 21.8 mmmt 51.15 37.81 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -111.07 179.18 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 51.7 m-85 -122.62 132.4 54.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.45 153.56 40.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.17 134.24 34.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.06 176.21 22.62 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -175.07 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -49.7 129.57 19.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -140.58 138.87 34.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.83 106.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 55.81 70.31 1.0 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -96.91 -179.46 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -84.64 133.97 34.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -115.42 141.38 48.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 104' ' ' ILE . 10.0 m-85 -126.54 116.84 21.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -37.34 -37.58 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.556 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 3.2 m -149.24 170.21 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.953 0.406 . . . . 0.0 110.805 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.506 HG21 ' CD2' ' A' ' 62' ' ' TYR . 84.8 t -60.32 -56.25 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.8 t -40.76 -47.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.65 -46.12 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.576 ' HA ' ' CD2' ' A' ' 98' ' ' PHE . 66.4 mt -48.74 -41.6 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.46 HG13 HD13 ' A' ' 128' ' ' LEU . 95.6 t -74.53 -41.29 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 109' ' ' GLN . 43.1 m-20 -64.3 -67.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -40.58 -32.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 104' ' ' ILE . 5.2 m-70 -72.38 -39.27 68.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 106' ' ' ASN . 97.3 mt-30 -35.25 -34.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' HIS . 55.2 m-70 -100.33 -58.11 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -80.33 140.49 52.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 138.18 37.35 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.744 2.296 . . . . 0.0 112.321 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.86 HD11 HD21 ' A' ' 64' ' ' LEU . 2.4 tt -78.16 91.19 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.475 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.6 p -57.49 119.72 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.631 ' CD2' HD11 ' A' ' 75' ' ' ILE . 22.7 mt -107.47 119.93 40.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 52.0 mm -114.46 81.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 118' ' ' SER . 15.8 t0 -74.14 100.4 3.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' ASP . 12.3 t -34.25 -51.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 118' ' ' SER . 10.5 mm-40 -34.75 -49.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -132.02 137.39 47.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -76.55 48.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.1 p -107.34 103.11 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.78 99.53 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -114.5 98.76 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 55.3 p -96.06 133.01 40.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.2 t -140.05 133.1 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 -78.64 144.29 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.814 HD22 ' CG ' ' A' ' 48' ' ' PHE . 93.0 mt -69.58 107.03 3.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -113.97 -39.16 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 2.2 m-85 -106.36 149.33 27.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -128.64 97.44 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 38' ' ' ALA . 96.7 t -100.73 105.03 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -98.5 131.54 44.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 34' ' ' SER . 4.1 p -81.23 159.02 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.4 t -161.96 136.11 6.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.5 t -54.8 153.13 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -178.95 -148.36 7.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.54 5.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.256 . . . . 0.0 112.391 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.2 p -145.89 145.12 30.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.6 m -125.11 163.04 23.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -73.32 142.03 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -51.43 -45.66 62.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 68.98 55.94 9.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.0 m -36.37 121.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -112.67 137.2 51.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.27 63.51 2.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.79 3.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.495 ' CD2' ' ND2' ' A' ' 10' ' ' ASN . 37.1 p90 -64.22 -38.95 92.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.495 ' ND2' ' CD2' ' A' ' 9' ' ' PHE . 14.0 m-80 -131.73 97.0 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 21.2 p -174.6 179.62 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.576 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -62.37 151.6 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CD1' ' HB ' ' A' ' 12' ' ' THR . 0.3 OUTLIER 49.08 25.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 11' ' ' SER . . . -97.22 -39.58 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.76 -39.73 64.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -60.78 -44.85 96.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 20' ' ' LEU . 21.8 tt0 -42.8 -33.91 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.89 84.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -83.05 13.03 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 17' ' ' GLU . 35.3 mt -121.17 -32.11 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.676 HD23 ' HE2' ' A' ' 26' ' ' TYR . 86.1 mt -62.92 133.62 54.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.04 -32.96 6.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -50.04 139.95 17.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -21.56 33.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -92.18 -28.95 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.676 ' HE2' HD23 ' A' ' 21' ' ' LEU . 20.3 t80 -62.9 91.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.751 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -62.72 -22.68 66.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.07 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.486 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 79.83 -154.5 37.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.54 74.93 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -112.63 169.49 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.2 t0 -69.6 150.82 46.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 54.8 ttt-85 -60.99 -38.76 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -64.93 -51.69 60.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.434 ' C ' HG21 ' A' ' 134' ' ' VAL . 14.7 m -49.05 -52.54 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.78 -52.26 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.58 -49.55 77.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -54.68 -56.33 20.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.719 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -47.07 -26.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.705 HD22 ' HB2' ' A' ' 67' ' ' PHE . 24.8 mt -88.49 -51.84 5.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -55.7 -28.38 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -74.44 -39.84 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -58.42 -50.66 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 t30 65.65 44.47 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' ASP . 28.4 mtmm -133.85 83.84 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -36.74 126.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.38 -27.82 6.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 m -52.61 152.65 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.704 ' HB3' HD22 ' A' ' 128' ' ' LEU . 35.2 p90 -150.26 158.61 44.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.6 pp -160.81 133.99 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.509 HD13 ' HA ' ' A' ' 64' ' ' LEU . 22.1 mm -95.29 122.1 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -112.85 129.82 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -65.97 142.09 57.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 m -75.06 106.0 6.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.6 m -82.91 100.79 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.93 -148.79 13.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.506 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 6.7 p80 -121.35 84.49 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -164.73 147.57 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -110.78 -39.33 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.24 -35.6 7.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.464 ' HB3' HE21 ' A' ' 60' ' ' GLN . 0.2 OUTLIER -115.25 85.04 12.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.29 4.32 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -141.7 171.89 13.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.1 m -141.29 119.52 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 50' ' ' ILE . 27.7 tp -76.76 141.65 40.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.02 98.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.64 124.79 34.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.705 ' HB2' HD22 ' A' ' 39' ' ' LEU . 74.0 t80 -90.72 114.97 27.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.29 -176.01 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 69' ' ' ASN . 16.4 p30 -49.39 87.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 68' ' ' PHE . 23.9 mmmt 62.33 39.46 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.6 mtp85 -149.37 160.21 43.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.1 t -132.65 121.56 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -113.0 116.52 30.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.96 100.56 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.74 HD11 HD23 ' A' ' 115' ' ' LEU . 23.7 mt -96.55 126.8 42.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.84 12.62 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 77' ' ' VAL . 97.4 t -94.13 76.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -59.37 146.23 40.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 2.1 t80 -116.12 121.79 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -75.71 144.23 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -102.81 -52.11 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.1 -35.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.2 p -130.47 19.94 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 38.82 48.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.455 ' OE1' ' CG ' ' A' ' 97' ' ' TYR . 80.1 mt-30 -109.29 -174.81 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 72.0 m-85 -127.5 161.95 27.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.633 ' HB1' ' CD ' ' A' ' 95' ' ' GLU . . . -160.61 -175.54 5.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 89' ' ' GLY . 2.5 mp -129.79 173.22 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . 49.2 179.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -95.77 -20.8 18.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -104.65 80.59 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -79.32 13.59 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' LYS . 2.6 t-20 -35.3 93.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . 55.75 54.4 35.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.633 ' CD ' ' HB1' ' A' ' 87' ' ' ALA . 3.3 pt-20 -101.15 176.87 5.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -84.51 125.45 32.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.455 ' CG ' ' OE1' ' A' ' 85' ' ' GLN . 56.4 m-85 -88.79 154.57 20.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.583 ' CD1' HG12 ' A' ' 104' ' ' ILE . 12.7 m-85 -131.21 112.23 12.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -38.43 -34.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.551 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 3.1 m -148.62 177.4 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.896 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.8 t -67.48 -45.45 85.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.192 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.6 t -50.26 -46.29 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -53.14 -39.7 63.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.583 HG12 ' CD1' ' A' ' 98' ' ' PHE . 83.0 mt -54.13 -41.85 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.1 t -80.67 -49.09 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -52.72 -51.75 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.12 -44.14 89.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.4 OUTLIER -57.78 -41.62 82.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' HIS . 22.8 mt-30 -34.43 -45.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -93.49 -58.68 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -72.0 133.24 84.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.14 49.95 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.516 HD22 ' CD2' ' A' ' 108' ' ' HIS . 45.3 tp -107.4 86.22 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.442 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 6.0 p -39.06 141.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 75' ' ' ILE . 8.8 mt -126.03 122.15 35.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 22.0 mt -130.43 97.96 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.83 40.27 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.5 m -144.17 -177.98 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -86.31 -31.93 21.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 121' ' ' ASN . 3.5 t30 -84.97 37.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 120' ' ' ASN . 2.9 m120 34.45 40.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.6 p -45.95 107.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -93.47 82.86 4.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.529 ' O ' HD12 ' A' ' 115' ' ' LEU . 26.6 m-20 -108.22 89.6 3.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.442 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.2 p -93.03 134.86 34.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.7 t -144.96 146.16 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -93.19 141.36 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' A' ' 48' ' ' PHE . 61.9 mt -64.97 117.97 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -118.2 -42.04 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.471 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 12.1 m-85 -108.62 155.54 20.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.11 99.02 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.3 t -90.9 139.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -114.8 118.65 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.751 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.0 p -79.34 140.62 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 m -151.0 -178.09 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.0 t -127.35 102.12 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -136.35 -74.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 140' ' ' SER . 53.8 Cg_endo -69.78 2.65 3.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.317 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 27.4 m -46.43 90.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 138' ' ' PRO . 50.6 m 61.12 41.13 14.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -136.9 147.07 46.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -113.18 150.15 32.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.14 76.74 0.59 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 m -111.35 83.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -97.09 124.68 41.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.1 -116.66 1.29 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 0.81 5.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.355 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -62.08 163.29 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 65.09 42.17 4.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -104.52 108.51 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.9 m -104.7 -55.9 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.086 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -91.11 -46.5 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.92 -49.06 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -55.61 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -44.3 -43.23 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HA ' HD12 ' A' ' 20' ' ' LEU . 8.2 tt0 -48.68 -39.7 25.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.12 -42.52 63.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -92.3 20.85 5.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 17' ' ' GLU . 33.9 mt -125.5 -30.85 3.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.702 HD23 ' HE2' ' A' ' 26' ' ' TYR . 75.7 mt -63.46 126.93 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.57 -32.9 6.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -48.27 141.99 8.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.59 31.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -94.62 -27.51 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.702 ' HE2' HD23 ' A' ' 21' ' ' LEU . 34.1 t80 -65.35 95.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.34 -17.2 63.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.526 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 78.2 -151.45 36.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.22 46.21 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 p -70.03 -178.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' ARG . 1.9 m-20 -101.04 136.57 40.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' ASP . 65.6 ttt180 -36.34 -45.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -64.99 -62.76 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -49.21 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.19 -52.51 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.44 -43.3 96.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.59 -47.57 85.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.89 -28.55 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.67 HD22 ' CB ' ' A' ' 67' ' ' PHE . 30.6 mt -82.71 -56.24 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.569 ' CE1' HG23 ' A' ' 72' ' ' VAL . 39.7 m-70 -56.83 -33.32 66.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -70.95 -35.29 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -61.32 -49.14 78.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t30 66.06 42.39 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -129.55 83.72 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.92 130.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.92 -24.05 20.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.484 ' HB3' HG23 ' A' ' 132' ' ' VAL . 22.9 m -52.17 153.92 2.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 34.6 p90 -154.07 156.91 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.827 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.3 pp -160.09 135.34 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.2 mm -92.1 123.33 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -114.8 123.44 49.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -61.09 140.07 57.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' SER . 45.5 t -61.23 122.85 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' SER . 6.3 t -36.26 -64.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.7 74.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -121.78 -55.62 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -143.1 176.56 9.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' LYS . 91.7 p -91.86 -45.04 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' SER . 11.6 mptt -35.21 -39.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -110.68 85.29 4.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.449 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.77 -44.65 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.376 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 14.2 m-85 -138.24 177.51 7.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 75' ' ' ILE . 95.3 m -147.39 138.15 23.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.2 tp -94.65 140.23 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 39' ' ' LEU . 60.0 t -127.31 98.86 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.04 115.32 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.67 ' CB ' HD22 ' A' ' 39' ' ' LEU . 50.9 t80 -83.56 114.95 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -101.29 177.65 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -44.21 90.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' PHE . 12.9 mmmt 59.98 40.28 19.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -146.85 167.24 24.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 40' ' ' HIS . 40.9 t -145.91 117.79 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -109.36 127.06 54.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -105.27 100.98 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.675 ' O ' HG23 ' A' ' 63' ' ' THR . 28.5 mt -100.66 124.99 40.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.643 0.735 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.19 17.14 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.568 HG12 ' HD2' ' A' ' 86' ' ' TYR . 58.0 t -100.24 78.58 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -62.71 164.65 7.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.402 ' HD2' ' CE1' ' A' ' 86' ' ' TYR . 31.8 t80 -131.97 119.82 21.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -93.21 122.52 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -76.54 -36.35 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -38.71 -38.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.4 p -131.26 5.89 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 55.79 39.17 30.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.438 ' CD ' ' HB3' ' A' ' 97' ' ' TYR . 31.5 mt-30 -114.36 177.74 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.675 ' HB3' HD11 ' A' ' 104' ' ' ILE . 36.1 m-85 -115.95 152.59 33.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -139.29 148.69 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.088 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 88' ' ' LEU . 3.9 mm? -95.45 137.07 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.8 -166.39 3.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -58.74 149.5 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' HE2' ' C ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -58.38 -174.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 93' ' ' ASN . 46.9 tttp -175.24 151.58 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 92' ' ' LYS . 20.9 t-20 -36.04 -52.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -122.86 38.91 2.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.94 154.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -80.34 137.86 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.438 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 89.5 m-85 -115.6 136.57 52.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 104' ' ' ILE . 71.9 m-85 -122.13 122.2 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -35.56 -40.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.561 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 1.9 m -162.26 177.05 9.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.97 0.414 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.0 t -57.1 -43.95 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.24 -40.67 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -46.35 91.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.675 HD11 ' HB3' ' A' ' 86' ' ' TYR . 96.4 mt -48.76 -54.15 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.44 -54.87 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -45.9 -63.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -57.51 -36.94 72.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -61.74 -41.16 97.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 108' ' ' HIS . 97.5 mt-30 -35.85 -43.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -99.03 -40.86 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -86.63 128.68 55.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.04 52.88 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' VAL . 28.4 tp -104.8 88.65 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 88.8 t -33.77 119.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 93.8 mt -110.75 75.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.44 HG13 HG12 ' A' ' 114' ' ' VAL . 36.5 mt -95.22 124.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -125.53 -54.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.0 m -70.38 152.13 44.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 120' ' ' ASN . 62.7 mm-40 -49.57 -54.26 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 119' ' ' GLN . 2.2 m120 -37.3 156.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -81.64 41.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.3 t -73.18 137.14 44.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -121.6 92.76 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -97.68 27.51 4.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 3.6 p -48.02 146.28 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -152.06 143.15 23.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -90.52 132.12 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 27.7 mt -54.59 121.25 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -120.88 -41.58 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -108.91 152.9 24.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -126.09 94.15 4.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' A' ' 47' ' ' SER . 85.1 t -80.92 145.11 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -123.81 150.51 44.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.38 146.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.8 m -175.59 160.21 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 45.8 p -124.94 42.47 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -53.17 -96.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 85.44 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.3 p -152.62 160.1 43.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 26.3 p -69.54 136.81 51.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.442 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -143.33 128.93 19.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -110.81 138.94 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.925 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.84 -139.95 2.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.1 p -104.98 95.09 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -138.93 143.65 38.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.23 145.9 18.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 160.88 48.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -72.36 -49.79 31.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -89.68 148.2 23.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.4 p -108.69 109.54 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.1 m -106.87 -53.31 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.089 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -68.48 -48.72 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.01 -54.28 1.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.12 -47.83 17.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -60.42 -39.11 86.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.655 ' HA ' HD12 ' A' ' 20' ' ' LEU . 21.0 tt0 -51.89 -41.36 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.49 66.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -95.39 19.42 10.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 17' ' ' GLU . 26.1 mt -121.48 -32.86 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.455 HD23 ' CE2' ' A' ' 26' ' ' TYR . 84.5 mt -64.89 130.13 42.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.84 -35.77 4.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 56.1 mmtt -43.07 137.99 2.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.558 0.694 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -5.15 15.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.469 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 24.2 p-90 -111.06 -22.48 11.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.529 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 44.1 t80 -66.38 98.06 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.877 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.31 -20.17 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.529 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 72.62 -167.46 53.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.82 75.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 111.084 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.24 161.62 20.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -75.84 150.33 37.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -52.22 -42.94 63.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -51.41 -60.22 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.709 ' HB3' HG21 ' A' ' 134' ' ' VAL . 14.7 m -47.87 -50.4 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.39 75.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' HG2' HG11 ' A' ' 72' ' ' VAL . 35.3 mt-10 -65.97 -37.66 86.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -65.36 -58.05 6.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -25.43 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 67' ' ' PHE . 50.5 mt -84.85 -54.24 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.451 ' NE2' HG23 ' A' ' 72' ' ' VAL . 25.7 m-70 -56.69 -30.69 63.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.0 ptm180 -71.67 -31.8 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 9.9 t -64.19 -51.52 63.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 t30 67.09 39.91 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.562 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 29.3 mtmt -134.9 88.25 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.474 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -42.81 115.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 134.74 -22.12 3.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.9 m -60.56 147.23 42.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.727 ' HB3' HD22 ' A' ' 128' ' ' LEU . 34.5 p90 -143.14 159.77 41.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.877 HD13 ' HB2' ' A' ' 27' ' ' ALA . 1.3 pp -167.48 127.28 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.65 HD13 ' HA ' ' A' ' 64' ' ' LEU . 19.9 mm -90.19 133.03 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -118.59 124.78 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' SER . 20.0 ttmm -63.03 135.7 57.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' LYS . 54.6 p -34.56 150.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -134.2 -55.78 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.91 -157.41 0.91 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -103.94 88.75 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.819 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.19 -178.12 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.402 ' O ' ' HE2' ' A' ' 59' ' ' LYS . 71.0 m -115.89 -75.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HE2' ' O ' ' A' ' 58' ' ' SER . 6.8 mmpt? -101.69 50.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -134.71 83.2 42.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 53.8 Cg_endo -69.8 -36.25 11.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.518 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 22.0 m-85 -148.82 176.81 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.605 ' HA ' HG23 ' A' ' 77' ' ' VAL . 95.2 m -148.87 131.03 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.65 ' HA ' HD13 ' A' ' 50' ' ' ILE . 10.3 tp -91.73 131.02 37.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.8 t -118.03 103.1 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.46 115.65 28.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.573 ' CB ' HD22 ' A' ' 39' ' ' LEU . 37.1 t80 -83.58 133.21 34.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -121.07 166.81 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.474 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 11.1 t-20 -37.09 93.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' PHE . 4.6 mmmm 58.68 47.47 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 87.7 mtt-85 -155.47 171.48 19.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.471 HG11 ' HG2' ' A' ' 36' ' ' GLU . 60.2 t -150.06 119.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -113.84 118.98 35.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -100.33 97.89 8.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.83 HD11 HD23 ' A' ' 115' ' ' LEU . 22.8 mt -92.03 126.24 53.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.65 23.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' HA ' ' A' ' 63' ' ' THR . 47.7 t -103.29 79.8 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -69.11 145.63 53.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 50.8 t80 -110.67 126.75 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.556 HG12 ' CE2' ' A' ' 97' ' ' TYR . 5.3 mp -95.31 112.81 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' ALA . 26.6 tt0 -67.95 -39.08 83.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -36.3 -47.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' LYS . 22.7 p -132.81 31.68 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 9.3 mmpt? 36.76 44.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -106.68 175.37 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.58 ' HB3' HD11 ' A' ' 104' ' ' ILE . 50.6 m-85 -124.39 143.17 50.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.464 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -132.36 164.43 26.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.542 ' CD1' HG22 ' A' ' 77' ' ' VAL . 4.0 mm? -118.79 149.07 42.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.29 -176.47 54.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -125.88 37.03 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 92' ' ' LYS . 5.0 tppp? -153.35 105.17 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 95' ' ' GLU . 38.4 tttp -34.12 -43.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -43.54 93.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . 99.65 -28.12 16.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 94' ' ' GLY . 20.9 mt-10 -32.49 128.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 21.8 tt0 -107.72 117.19 33.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.556 ' CE2' HG12 ' A' ' 80' ' ' ILE . 2.6 m-85 -89.8 127.3 35.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CD1' HG12 ' A' ' 104' ' ' ILE . 14.7 m-85 -123.57 168.36 12.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.79 -37.85 66.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.569 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 2.5 m -155.25 174.91 14.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.424 HG23 ' CE2' ' A' ' 86' ' ' TYR . 91.7 t -59.7 -53.03 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.2 t -45.87 -46.57 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.64 -47.32 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.581 HG12 ' CD1' ' A' ' 98' ' ' PHE . 96.1 mt -46.5 -43.89 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 128' ' ' LEU . 94.2 t -77.72 -55.87 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -42.46 -54.23 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.26 -49.39 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -50.15 -40.51 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' HIS . 73.4 mt-30 -37.04 -42.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.43 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 72.7 m-70 -101.15 -43.64 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.441 ' C ' ' HG2' ' A' ' 127' ' ' ARG . 3.7 m-20 -81.09 134.32 52.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.15 44.34 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.536 ' CD2' HD21 ' A' ' 64' ' ' LEU . 41.4 tp -110.3 87.43 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 114' ' ' VAL . 2.1 t -42.41 146.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.83 HD23 HD11 ' A' ' 75' ' ' ILE . 3.5 mt -132.37 86.87 2.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.02 97.3 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.28 111.74 2.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.6 p -48.6 143.71 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 55.6 38.36 30.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -169.24 132.96 1.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -81.37 74.97 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.2 p -132.85 100.28 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -102.47 51.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -84.08 122.41 28.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.413 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 24.4 p -112.28 146.32 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.831 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -148.27 146.76 28.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.441 ' HG2' ' C ' ' A' ' 111' ' ' ASN . 27.1 mtm180 -94.94 138.95 32.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.727 HD22 ' HB3' ' A' ' 48' ' ' PHE . 28.6 mt -58.56 117.53 4.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -117.27 -38.75 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.562 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 3.8 m-85 -111.11 150.95 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -123.85 98.59 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.054 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 87.2 t -103.25 119.28 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -112.38 136.02 52.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.709 HG21 ' HB3' ' A' ' 34' ' ' SER . 8.0 p -86.62 139.79 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 15.7 t -160.75 129.99 4.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.8 t -162.15 174.67 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 153.84 156.55 7.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.46 11.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.2 m -112.07 170.89 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 98.9 p -134.28 118.15 17.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -140.27 130.11 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -54.69 109.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.1 -60.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -103.47 137.28 41.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.891 0.377 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -85.47 143.44 28.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.19 -176.59 16.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 108.95 2.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -59.19 153.95 17.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -55.07 121.18 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -90.12 46.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 m -48.69 -63.04 1.2 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ASP . 8.5 m-85 -42.72 -56.06 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -33.19 -34.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' PHE . 65.1 m-20 -75.25 -64.62 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -50.54 -36.79 35.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.786 ' HA ' HD12 ' A' ' 20' ' ' LEU . 19.0 tt0 -50.41 -18.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.1 -25.19 61.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 2.6 pt-20 -98.16 10.89 39.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 17' ' ' GLU . 19.9 mt -115.49 -29.11 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.7 mt -69.26 123.85 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.34 -27.98 11.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 52.6 mmtt -56.26 137.21 74.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -17.67 37.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.554 ' HH2' HD23 ' A' ' 20' ' ' LEU . 30.6 p-90 -96.72 -14.07 22.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.529 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 26.4 t80 -77.04 93.95 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -65.72 -16.85 64.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.529 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 80.52 -124.52 6.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.78 38.81 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.425 ' SG ' HG13 ' A' ' 134' ' ' VAL . 10.0 m -80.03 157.65 26.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -61.69 151.33 34.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -62.6 -46.42 88.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -50.52 -58.19 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m -47.24 -46.59 24.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.55 -39.64 49.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -71.07 -39.35 72.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -66.2 -50.46 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.63 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -55.98 -33.47 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 67' ' ' PHE . 33.5 mt -80.62 -37.24 31.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -68.97 -32.42 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 42' ' ' SER . 4.0 ptt-85 -71.41 -30.04 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 23.3 t -61.03 -51.84 67.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t30 66.03 39.64 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.476 ' HD2' ' CE2' ' A' ' 130' ' ' TYR . 25.1 mtmt -132.0 87.5 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.39 105.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 141.37 -13.79 2.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -62.84 164.41 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 130' ' ' TYR . 30.7 p90 -164.75 154.55 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.7 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.5 pp -159.4 130.95 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.471 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 22.0 mm -91.13 113.02 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -104.46 140.14 38.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -80.94 137.02 36.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.3 t -48.65 126.27 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.9 p -49.2 -54.63 15.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.55 -158.28 11.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -123.07 102.18 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -144.07 145.85 32.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.0 m -85.3 -33.29 22.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -45.78 85.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -121.15 86.29 42.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -43.28 2.74 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.303 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -140.44 172.63 12.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.0 m -141.75 131.38 24.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.55 HD21 HD11 ' A' ' 113' ' ' LEU . 9.4 tp -92.17 140.7 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.529 HG12 ' CD1' ' A' ' 39' ' ' LEU . 45.5 t -126.7 98.72 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.99 116.62 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.602 ' HB2' HD22 ' A' ' 39' ' ' LEU . 79.1 t80 -82.92 118.38 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CZ ' ' OD2' ' A' ' 124' ' ' ASP . 1.5 t80 -104.64 177.32 4.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.06 91.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 68' ' ' PHE . 4.9 mmmm 60.89 38.17 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -149.74 163.9 36.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -137.37 124.4 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -116.82 111.22 19.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.957 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -96.33 94.34 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.482 HD11 ' CD2' ' A' ' 115' ' ' LEU . 12.1 mt -90.72 131.68 37.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 135.18 29.77 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.353 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.3 t -107.6 78.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -66.53 156.33 35.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 61.1 t80 -122.09 115.76 23.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 80' ' ' ILE . 4.0 mp -89.47 88.03 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -47.41 -39.96 16.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.83 -34.64 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.8 p -123.18 4.23 9.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 36.1 mmtm 52.46 36.03 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -120.79 -178.05 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.535 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 4.5 m-85 -130.54 138.58 50.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.36 169.87 9.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 88' ' ' LEU . 3.8 mm? -105.95 138.72 41.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.46 -172.46 55.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -104.6 -18.31 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.361 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -175.15 137.02 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -173.0 141.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -59.6 142.56 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 45.77 49.8 12.16 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.16 124.46 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -78.64 142.4 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -99.69 174.16 6.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.472 ' CD1' HG12 ' A' ' 104' ' ' ILE . 89.1 m-85 -153.97 127.13 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -35.93 -52.74 1.19 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.535 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 m -151.83 -177.28 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 0.0 110.848 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.647 ' HB ' HD21 ' A' ' 20' ' ' LEU . 56.9 t -56.39 -58.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.7 t -46.69 -42.95 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.93 -41.96 79.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.472 HG12 ' CD1' ' A' ' 98' ' ' PHE . 81.5 mt -57.52 -34.55 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.479 HG13 HD13 ' A' ' 128' ' ' LEU . 85.4 t -82.43 -53.17 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -54.38 -31.17 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -74.52 -36.44 63.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.575 ' HB2' HD12 ' A' ' 128' ' ' LEU . 5.7 m-70 -73.48 -26.31 60.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -42.35 -39.28 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -100.18 -51.63 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -82.63 140.24 44.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.48 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 54.0 Cg_endo -69.7 142.05 47.16 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.738 2.292 . . . . 0.0 112.342 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.55 HD11 HD21 ' A' ' 64' ' ' LEU . 2.5 tt -91.05 90.19 7.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 124' ' ' ASP . 3.5 p -56.02 134.53 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 75' ' ' ILE . 7.3 mt -121.37 108.51 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.3 mt -114.08 91.48 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' SER . 19.9 p-10 -105.67 35.34 2.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' ASP . 38.5 m 36.63 44.61 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -122.3 -55.98 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 121' ' ' ASN . 85.3 m-20 -94.97 -7.08 40.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 120' ' ' ASN . 66.7 m-20 35.48 34.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 120' ' ' ASN . 1.0 OUTLIER -115.16 1.88 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt 54.85 48.89 19.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.545 ' OD2' ' CZ ' ' A' ' 68' ' ' PHE . 10.8 t0 -54.04 171.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.1 p -170.64 148.05 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 126' ' ' THR . 12.5 t -158.38 128.43 5.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 45.6 mtt180 -79.21 144.26 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.575 HD12 ' HB2' ' A' ' 108' ' ' HIS . 14.9 mt -71.56 126.25 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -130.35 -41.8 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 15.6 m-85 -102.07 154.63 18.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -132.54 95.66 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.3 t -87.31 135.77 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -113.13 113.08 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' A' ' 38' ' ' ALA . 3.6 p -71.28 150.33 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.5 p -152.92 137.33 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.4 p -50.03 161.9 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -164.1 -94.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 132.26 22.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 58.5 m -146.19 132.53 19.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.5 m -106.63 -55.54 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.749 0.309 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.75 -47.54 30.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -58.17 -40.15 80.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.604 ' HA ' HD12 ' A' ' 20' ' ' LEU . 42.6 tt0 -52.24 -42.44 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.32 -37.19 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -96.29 24.64 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 17' ' ' GLU . 40.0 mt -130.15 -31.7 1.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.5 mt -63.25 127.1 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.33 -35.25 5.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 66.1 mmtt -44.12 136.87 3.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.54 12.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.307 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.564 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 23.8 p-90 -113.29 -21.9 10.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.532 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 43.4 t80 -67.26 98.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.987 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -66.47 -21.29 66.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.532 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 73.74 -155.15 49.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.86 43.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.55 149.55 24.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -49.04 144.66 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 20.3 ttp180 -58.43 -49.78 76.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -50.95 -49.72 59.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.806 ' HB3' HG21 ' A' ' 134' ' ' VAL . 45.2 m -52.73 -43.55 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.45 -43.81 68.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.583 ' HG2' HG11 ' A' ' 72' ' ' VAL . 46.5 mt-10 -69.31 -43.08 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.23 -56.79 16.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' O ' HG11 ' A' ' 132' ' ' VAL . . . -51.46 -26.61 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.699 HD22 ' HB2' ' A' ' 67' ' ' PHE . 46.5 mt -82.45 -51.98 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -55.98 -32.24 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 42' ' ' SER . 5.3 ptm180 -71.73 -30.0 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 46.9 t -64.51 -52.7 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.7 t30 63.66 41.05 7.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -134.79 87.13 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.476 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -42.57 108.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.78 -16.74 3.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.528 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.8 m -67.1 155.15 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 110.847 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' CD1' HD22 ' A' ' 128' ' ' LEU . 37.2 p90 -150.51 167.49 27.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.987 HD13 ' HB2' ' A' ' 27' ' ' ALA . 2.1 pp -172.19 126.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.402 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 6.4 mm -88.23 127.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.409 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 13.0 ptt180 -117.58 119.05 33.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -49.18 136.94 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.2 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.641 0.734 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.471 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.7 -48.15 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 35.7 m-85 -139.48 176.41 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 75' ' ' ILE . 55.4 m -145.77 127.23 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.6 tp -87.04 140.8 29.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 t -130.29 98.87 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.25 117.52 29.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.699 ' HB2' HD22 ' A' ' 39' ' ' LEU . 39.4 t80 -83.87 133.38 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.1 t80 -120.77 179.49 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.476 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 1.3 t30 -41.92 91.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' PHE . 25.0 mmtp 56.11 41.96 28.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 70' ' ' LYS . 20.6 mmt85 -146.28 165.47 29.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.583 HG11 ' HG2' ' A' ' 36' ' ' GLU . 34.7 t -142.42 119.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -118.02 112.93 20.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -104.1 97.28 7.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 63' ' ' THR . 8.5 mt -90.95 131.61 36.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 126.41 13.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.303 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -95.59 82.26 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.6 mtt85 -64.45 159.09 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.51 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 22.4 t80 -127.92 106.02 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.525 HD12 ' H ' ' A' ' 80' ' ' ILE . 5.1 mp -75.29 89.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.177 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 82' ' ' ALA . 24.7 tt0 -50.48 -41.11 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -33.98 -44.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.1 p -123.53 4.32 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 36.1 mmtt 60.65 35.67 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -106.43 178.71 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.412 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.2 m-85 -126.31 147.65 49.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -141.78 164.33 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.77 139.93 39.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.865 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.521 ' CD2' HG12 ' A' ' 104' ' ' ILE . 54.4 m-85 -102.85 169.82 8.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.32 -29.18 15.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -157.54 169.07 25.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.56 -47.03 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.09 -39.39 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.47 -41.86 90.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.521 HG12 ' CD2' ' A' ' 98' ' ' PHE . 77.1 mt -54.14 -35.05 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.419 HG13 HD13 ' A' ' 128' ' ' LEU . 96.9 t -83.31 -47.08 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -56.67 -52.29 65.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -63.9 -40.32 96.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.728 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -63.38 -43.38 97.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' HIS . 21.1 mt-30 -34.96 -41.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -102.02 -43.15 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -84.13 133.45 45.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.18 49.77 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.728 HD22 ' CD2' ' A' ' 108' ' ' HIS . 30.9 tp -113.39 92.83 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.41 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 85.8 t -48.4 126.43 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 6.5 p -98.99 162.77 12.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.0 t -158.89 131.9 7.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -82.56 121.14 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 48' ' ' PHE . 59.5 mt -41.74 117.43 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -120.96 -40.67 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -107.44 158.8 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -132.67 97.17 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.535 HG11 ' O ' ' A' ' 38' ' ' ALA . 96.9 t -101.8 104.64 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -100.36 126.56 46.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.806 HG21 ' HB3' ' A' ' 34' ' ' SER . 8.5 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.07 -37.53 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -66.65 -45.02 80.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 20' ' ' LEU . 32.9 tt0 -47.07 -45.03 21.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.83 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.9 18.47 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 17' ' ' GLU . 21.7 mt -123.2 -31.63 3.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 mt -61.48 125.89 25.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.54 -35.44 4.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -49.04 137.01 14.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.557 0.694 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.02 17.58 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.541 ' CZ3' HG13 ' A' ' 50' ' ' ILE . 37.9 p-90 -111.28 -30.21 7.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 18.7 t80 -62.03 97.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.895 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -69.43 -17.07 63.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.458 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 74.75 -153.44 45.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.17 42.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.75 150.27 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.77 144.92 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 31.0 ttt180 -58.94 -49.93 75.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -48.04 -53.7 15.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.695 ' HB3' HG21 ' A' ' 134' ' ' VAL . 3.1 m -50.03 -38.18 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 32' ' ' ARG . . . -59.6 -50.1 75.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.14 -36.26 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -69.79 -51.63 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -54.84 -24.72 24.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.568 HD22 ' CB ' ' A' ' 67' ' ' PHE . 39.8 mt -89.0 -48.92 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -60.5 -29.51 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 42' ' ' SER . 8.0 ptm180 -72.72 -40.79 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 8.9 t -55.91 -50.13 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 66.56 46.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -132.76 83.59 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.08 120.26 1.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.14 -18.35 8.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 m -58.54 155.98 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.39 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.632 ' HB3' HD22 ' A' ' 128' ' ' LEU . 34.1 p90 -151.61 153.7 34.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 27' ' ' ALA . 1.2 pp -159.93 135.65 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.775 HD13 ' HA ' ' A' ' 64' ' ' LEU . 23.5 mm -96.11 130.34 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.0 ptt85 -119.89 125.48 48.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -59.56 141.01 55.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.447 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.7 -45.11 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.508 ' CD2' HG21 ' A' ' 101' ' ' VAL . 20.5 m-85 -141.34 174.05 10.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.2 m -144.21 126.07 15.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.172 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.775 ' HA ' HD13 ' A' ' 50' ' ' ILE . 4.1 tp -85.12 131.99 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.427 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 46.3 t -119.36 102.13 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.82 121.17 30.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CB ' HD22 ' A' ' 39' ' ' LEU . 36.4 t80 -87.05 115.96 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -102.64 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.4 91.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' PHE . 72.0 mmtt 61.17 40.95 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 32.5 mtp180 -153.9 158.49 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.427 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 54.0 t -135.63 120.75 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -110.83 119.38 38.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.94 98.92 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.567 HD11 ' CD2' ' A' ' 115' ' ' LEU . 30.0 mt -94.38 121.52 63.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 127.73 15.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.568 HG22 HD13 ' A' ' 88' ' ' LEU . 99.2 t -98.62 85.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -74.97 153.34 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -117.71 123.92 47.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 mp -93.94 121.05 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' ALA . 34.5 tt0 -76.82 -35.94 57.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -37.24 -39.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.1 p -128.07 -3.38 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt 67.79 41.52 2.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -118.52 177.32 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.482 ' CB ' HD11 ' A' ' 104' ' ' ILE . 2.8 m-85 -121.52 158.11 29.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.668 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -145.46 176.48 9.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.668 HD22 ' C ' ' A' ' 87' ' ' ALA . 2.2 mm? -117.42 142.6 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.966 0.413 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.592 ' CD2' HG12 ' A' ' 104' ' ' ILE . 85.7 m-85 -108.85 -75.14 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.12 -13.53 3.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 p -167.85 158.95 11.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' A' ' 104' ' ' ILE . 35.6 t -64.03 -43.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.53 -44.28 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -59.82 -42.08 92.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.592 HG12 ' CD2' ' A' ' 98' ' ' PHE . 63.2 mt -50.12 -41.68 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.537 HG13 ' CD1' ' A' ' 128' ' ' LEU . 94.9 t -81.01 -54.24 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.41 ' HA ' ' CD ' ' A' ' 109' ' ' GLN . 33.3 m-20 -44.96 -37.94 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.487 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 3.2 m -75.17 -39.49 60.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.74 -12.33 52.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.41 ' CD ' ' HA ' ' A' ' 106' ' ' ASN . 82.7 mt-30 -67.71 -33.67 75.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -107.85 20.25 19.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 107' ' ' SER . 4.4 p30 -156.9 143.47 13.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.735 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.484 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 54.4 Cg_endo -69.72 141.82 46.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.8 tp -98.05 101.73 13.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.45 135.39 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.567 ' CD2' HD11 ' A' ' 75' ' ' ILE . 26.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.2 p -88.64 141.76 28.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.8 t -145.36 134.54 22.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.484 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 45.1 mtm180 -77.98 152.15 33.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 48' ' ' PHE . 38.7 mt -81.76 111.74 18.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -110.7 -44.39 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.5 m-85 -103.96 150.47 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -130.26 98.5 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -99.89 119.01 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -107.08 132.05 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.808 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.2 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.181 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.768 0.318 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -55.2 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -53.76 -38.44 64.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.717 ' HA ' HD12 ' A' ' 20' ' ' LEU . 33.5 tt0 -56.5 -40.67 75.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.25 -38.83 42.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.51 24.72 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' A' ' 17' ' ' GLU . 38.8 mt -128.75 -31.31 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.61 HD23 ' CE2' ' A' ' 26' ' ' TYR . 55.3 mt -63.56 128.69 36.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.37 -34.65 5.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 40.7 mmtt -43.3 137.85 2.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.53 0.681 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -4.08 13.31 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.434 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 27.5 p-90 -114.71 -20.45 10.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.61 ' CE2' HD23 ' A' ' 21' ' ' LEU . 27.6 t80 -69.45 93.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.728 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -66.09 -22.03 66.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.525 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 81.32 -144.94 24.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.38 42.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' CB ' HG11 ' A' ' 134' ' ' VAL . 14.6 p -67.9 -177.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.836 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.55 156.19 16.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.86 -39.98 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -72.32 -59.73 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.554 ' HB3' HG21 ' A' ' 134' ' ' VAL . 4.0 m -41.03 -43.5 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.24 -52.89 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.61 -46.36 90.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 39' ' ' LEU . 31.4 mm-40 -55.69 -66.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -41.13 -26.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.425 HD22 ' HB2' ' A' ' 67' ' ' PHE . 71.6 mt -84.37 -54.89 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -56.21 -30.02 61.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 42' ' ' SER . 9.1 ptm180 -72.72 -32.05 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 22.9 t -64.46 -49.03 73.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 64.83 45.17 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 37.5 mtpt -134.83 81.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -35.74 126.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.54 -25.72 7.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 m -51.42 156.89 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 24.1 p90 -157.81 161.86 38.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.4 pp -166.61 139.01 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.434 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 11.6 mm -95.13 120.86 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -112.09 123.59 50.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' SER . 49.5 tttm -62.26 140.22 58.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' LYS . 30.5 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -42.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.731 2.287 . . . . 0.0 112.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -144.36 178.69 7.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 75' ' ' ILE . 89.9 m -151.0 126.95 10.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 113' ' ' LEU . 24.3 tp -85.75 137.9 32.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.49 HG13 ' OD1' ' A' ' 74' ' ' ASN . 8.4 t -123.48 100.24 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.59 119.83 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.425 ' HB2' HD22 ' A' ' 39' ' ' LEU . 43.1 t80 -85.8 118.19 25.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -104.13 176.05 5.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -46.51 89.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' PHE . 1.4 mmmp? 63.93 38.3 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 27.7 mtp180 -151.92 160.89 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.46 HG13 HG12 ' A' ' 65' ' ' VAL . 61.7 t -136.19 122.56 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.443 ' CD1' HD13 ' A' ' 115' ' ' LEU . 16.2 m-85 -111.76 115.74 29.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.49 ' OD1' HG13 ' A' ' 65' ' ' VAL . 2.2 m-80 -99.67 103.0 14.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 63' ' ' THR . 21.0 mt -99.26 122.56 51.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 111.089 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 118.44 5.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -88.58 80.44 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -59.11 163.27 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -131.71 111.34 11.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.61 90.21 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -51.65 -34.12 36.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.44 -38.25 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.9 p -124.71 6.57 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 54.33 29.2 10.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -104.52 -179.38 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 87.0 m-85 -128.05 146.13 50.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -135.43 160.89 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.1 136.92 41.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.869 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.914 0.388 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.579 ' CD1' HG12 ' A' ' 104' ' ' ILE . 63.4 m-85 -144.53 114.74 7.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.31 -40.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.45 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 m -149.36 -179.78 7.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.9 t -70.56 -48.16 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.168 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 66.1 t -47.58 -44.92 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -55.68 -46.64 77.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.579 HG12 ' CD1' ' A' ' 98' ' ' PHE . 74.2 mt -47.16 -38.84 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.434 HG13 ' CD1' ' A' ' 128' ' ' LEU . 94.7 t -81.58 -45.69 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -54.5 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -55.25 -44.47 75.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.607 ' CD2' HD12 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -52.22 -44.48 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 108' ' ' HIS . 68.2 mt-30 -31.18 -43.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -90.54 -46.02 8.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -91.61 124.51 60.57 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.639 0.733 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.33 47.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.607 HD12 ' CD2' ' A' ' 108' ' ' HIS . 3.4 tt -91.53 85.91 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 114' ' ' VAL . 10.4 p -42.01 124.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 75' ' ' ILE . 34.5 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.813 0.34 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.481 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 86.4 p -100.15 149.94 23.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.6 t -143.81 147.86 34.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -102.86 129.76 49.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.566 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 24.4 mt -53.42 104.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -109.21 -45.88 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.57 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.4 m-85 -103.09 149.71 24.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -122.16 93.82 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.99 104.67 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -98.96 127.73 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.728 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.0 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.83 0.348 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -43.63 98.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -58.95 -37.11 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.796 ' HA ' HD12 ' A' ' 20' ' ' LEU . 26.2 tt0 -56.5 -38.62 72.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.32 -34.1 45.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.056 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.72 23.87 9.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 17' ' ' GLU . 22.4 mt -126.34 -30.19 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.6 mt -65.77 125.4 25.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.41 -34.68 5.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 41.6 mmtt -45.24 137.14 5.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -6.64 19.09 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.48 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 19.6 p-90 -108.46 -28.48 9.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 28.9 t80 -61.04 97.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.954 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -67.77 -17.15 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 79.69 -138.63 20.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.85 37.29 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.177 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.435 ' CB ' HG11 ' A' ' 134' ' ' VAL . 22.1 p -63.12 174.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -93.26 166.1 12.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -60.66 -35.01 75.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -75.15 -66.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.631 ' HB3' HG21 ' A' ' 134' ' ' VAL . 24.2 m -38.46 -38.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.67 -49.15 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.067 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.97 -42.58 89.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.86 -60.2 4.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.92 -26.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.733 HD22 ' HB2' ' A' ' 67' ' ' PHE . 21.4 mt -85.14 -55.41 4.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.427 ' NE2' HG23 ' A' ' 72' ' ' VAL . 22.8 m-70 -56.28 -29.88 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -74.85 -36.7 62.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.1 t -58.14 -47.99 81.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 63.4 42.55 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.457 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 33.8 mtmt -134.31 82.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -35.49 132.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.9 -21.4 20.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -56.42 156.53 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.657 ' CG ' HD22 ' A' ' 128' ' ' LEU . 19.2 p90 -157.02 162.28 39.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 49' ' ' LEU . 4.0 pp -168.4 127.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mm -83.94 124.62 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HD3' HG21 ' A' ' 65' ' ' VAL . 29.6 ptt85 -116.51 121.76 42.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.36 146.67 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.897 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.635 0.731 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -47.66 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -139.53 173.01 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.8 m -144.67 137.36 26.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.442 ' CD2' ' CD2' ' A' ' 113' ' ' LEU . 9.5 tp -92.52 145.98 24.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.431 HG21 ' HD3' ' A' ' 51' ' ' ARG . 26.4 t -134.17 96.2 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.45 118.64 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.733 ' HB2' HD22 ' A' ' 39' ' ' LEU . 57.3 t80 -84.02 114.73 21.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 124' ' ' ASP . 1.5 t80 -102.28 -179.82 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -47.02 91.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' PHE . 40.5 mmtt 58.45 33.97 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -144.15 156.88 44.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.427 HG23 ' NE2' ' A' ' 40' ' ' HIS . 49.0 t -133.81 120.87 38.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -112.08 117.05 31.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.33 102.16 13.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 63' ' ' THR . 33.5 mt -96.72 122.15 57.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.07 16.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.649 HG22 ' CD1' ' A' ' 88' ' ' LEU . 47.8 t -101.5 86.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -74.67 154.07 38.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -119.06 129.59 55.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.457 HG12 ' CE2' ' A' ' 97' ' ' TYR . 5.0 mp -103.23 114.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 82' ' ' ALA . 28.9 tt0 -66.0 -43.31 88.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.35 -56.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.6 p -110.71 8.1 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt 50.61 45.37 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -119.95 173.4 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 8.8 m-85 -118.96 146.06 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.503 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . . . -131.89 164.84 25.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.649 ' CD1' HG22 ' A' ' 77' ' ' VAL . 3.0 mm? -112.52 139.03 48.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.858 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 5.2 m-30 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.908 0.385 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CD1' HG12 ' A' ' 104' ' ' ILE . 3.1 m-85 -97.16 158.73 15.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.26 59.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.574 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 3.2 m -163.8 -178.77 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 110.876 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 87.1 t -59.52 -53.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.1 t -42.75 -43.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.46 -43.96 92.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.588 HG12 ' CD1' ' A' ' 98' ' ' PHE . 67.6 mt -50.48 -49.63 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.549 HG13 HD13 ' A' ' 128' ' ' LEU . 96.3 t -74.12 -59.32 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -39.81 -58.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -60.03 -42.54 94.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.515 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -57.64 -37.0 72.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -41.14 -42.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -100.08 -47.62 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.435 ' C ' ' HG2' ' A' ' 127' ' ' ARG . 36.0 m-80 -77.52 137.51 63.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 145.08 56.23 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.515 HD22 ' CD2' ' A' ' 108' ' ' HIS . 42.4 tp -110.78 80.88 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.452 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 8.6 p -42.48 131.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.564 HD23 HD11 ' A' ' 75' ' ' ILE . 9.5 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 11.5 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.452 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.1 p -77.58 139.31 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.2 t -145.46 142.11 28.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.435 ' HG2' ' C ' ' A' ' 111' ' ' ASN . 23.3 mtm180 -93.56 133.82 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.657 HD22 ' CG ' ' A' ' 48' ' ' PHE . 27.1 mt -55.71 116.71 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -117.73 -39.68 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.457 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 29.0 m-85 -107.66 150.05 27.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.63 98.77 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 78.7 t -102.25 104.93 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -98.83 119.5 37.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.631 HG21 ' HB3' ' A' ' 34' ' ' SER . 3.2 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.803 0.335 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -54.63 41.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -45.81 -40.25 9.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.4 tp10 -50.63 -39.6 50.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.05 -40.64 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -94.92 24.38 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' A' ' 17' ' ' GLU . 21.5 mt -126.13 -31.62 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.1 134.72 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.03 -36.0 4.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.51 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 47.2 mmtt -44.93 134.7 5.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -4.66 14.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.51 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 20.3 p-90 -110.97 -21.52 11.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 33.1 t80 -67.45 95.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.7 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -64.73 -22.34 66.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.524 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 81.88 -152.94 32.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.13 47.07 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.56 169.62 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.48 150.77 38.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -59.67 -44.57 93.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -54.8 -57.75 10.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 m -50.33 -45.99 55.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -45.88 62.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -65.76 -44.73 84.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.73 -46.55 84.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.532 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -56.76 -29.95 63.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 67' ' ' PHE . 53.0 mt -83.02 -54.14 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -55.77 -30.24 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' HG3' ' N ' ' A' ' 42' ' ' SER . 5.1 ptm180 -73.29 -30.38 63.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.481 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 27.4 t -67.95 -49.42 61.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 65.42 46.43 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 45' ' ' ASP . 16.8 mtpp -134.71 82.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -35.91 129.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.77 -29.5 7.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -46.92 152.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 0.0 110.871 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.62 ' HB3' HD22 ' A' ' 128' ' ' LEU . 33.9 p90 -149.73 158.52 44.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 27' ' ' ALA . 2.9 pp -163.43 142.76 8.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.459 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 17.4 mm -103.17 131.11 52.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -118.43 123.1 44.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.15 137.92 57.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.605 0.717 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -49.18 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.378 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -134.97 173.92 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.8 m -144.82 132.99 21.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.433 ' HA ' HD13 ' A' ' 50' ' ' ILE . 56.0 tp -92.19 148.2 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 32.8 t -134.48 95.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.13 125.0 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.083 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.546 ' HB2' HD22 ' A' ' 39' ' ' LEU . 78.4 t80 -91.03 116.15 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -103.02 -177.32 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 34.4 p-10 -44.92 89.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 68' ' ' PHE . 28.7 mmtp 58.52 37.75 25.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -147.45 159.94 43.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 58.2 t -131.24 123.71 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -115.04 109.75 18.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -96.3 101.06 12.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.754 HD12 HD21 ' A' ' 113' ' ' LEU . 32.0 mt -95.01 131.65 29.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 111.1 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 126.04 12.82 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -96.52 85.8 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -62.91 158.65 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -118.71 129.83 55.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.4 mm -99.73 75.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' ALA . 13.3 tt0 -43.36 -46.95 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -36.5 -46.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 p -124.73 19.91 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt 47.06 39.78 8.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.448 ' CD ' ' HB3' ' A' ' 97' ' ' TYR . 28.1 mt-30 -106.83 -174.04 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.692 ' CB ' HD11 ' A' ' 104' ' ' ILE . 85.5 m-85 -136.48 149.29 48.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.715 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -126.12 178.22 5.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.715 HD22 ' C ' ' A' ' 87' ' ' ALA . 3.8 mm? -126.53 139.1 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.449 ' H ' HG22 ' A' ' 75' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.448 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 18.8 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.494 ' CG ' HG12 ' A' ' 104' ' ' ILE . 80.4 m-85 -112.29 124.9 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -36.24 -43.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -155.81 170.85 21.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.463 HG23 ' CZ ' ' A' ' 86' ' ' TYR . 93.2 t -55.33 -49.87 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.3 t -53.06 -38.96 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.65 -40.27 91.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.692 HD11 ' CB ' ' A' ' 86' ' ' TYR . 86.2 mt -54.94 -41.07 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.2 t -76.48 -47.72 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -56.71 -39.54 74.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.5 t -67.84 -53.84 23.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.462 ' O ' ' C ' ' A' ' 109' ' ' GLN . 5.3 m-70 -49.88 -37.49 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' HIS . 64.1 mt-30 -32.79 -41.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.408 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 36.6 m-70 -93.53 -51.89 4.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -91.85 132.45 32.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.451 ' HB2' ' N ' ' A' ' 126' ' ' THR . 53.9 Cg_endo -69.72 138.45 37.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.733 2.288 . . . . 0.0 112.319 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.754 HD21 HD12 ' A' ' 75' ' ' ILE . 35.4 tp -78.09 87.01 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.462 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.1 p -39.86 141.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 114' ' ' VAL . 6.4 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.462 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 52.5 p -98.0 141.44 30.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.451 ' N ' ' HB2' ' A' ' 112' ' ' PRO . 4.5 t -144.46 139.8 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 110' ' ' HIS . 39.7 mtm180 -84.02 138.66 32.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 48' ' ' PHE . 46.2 mt -65.97 104.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -104.39 -45.86 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -104.31 146.62 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -125.9 94.65 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 93.7 t -96.75 128.75 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -112.23 137.07 50.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.7 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.8 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.749 0.309 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.54 -42.69 74.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -53.71 -40.48 66.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.927 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.4 tm-20 -54.77 -36.75 65.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.63 69.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -95.44 28.8 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.927 HD12 ' HA ' ' A' ' 17' ' ' GLU . 22.2 mt -129.43 -29.51 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.644 HD11 ' OE2' ' A' ' 17' ' ' GLU . 77.5 mt -62.86 136.66 57.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.51 -36.25 4.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 66.2 mmtt -45.85 135.42 6.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -4.63 14.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.525 ' CE2' ' HB3' ' A' ' 23' ' ' LYS . 19.5 p-90 -111.08 -24.49 10.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 21' ' ' LEU . 22.7 t80 -64.49 92.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.672 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -64.25 -20.59 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.506 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 80.23 -161.84 45.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.37 44.13 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.724 0.297 . . . . 0.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.79 174.84 9.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.83 162.53 23.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HG3' ' NH1' ' A' ' 51' ' ' ARG . 23.8 ttp180 -70.25 -42.37 72.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -54.09 -55.42 27.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.591 ' CB ' HG21 ' A' ' 134' ' ' VAL . 7.8 m -56.13 -40.92 74.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.567 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -60.25 -39.52 87.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -74.05 -41.37 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.2 -51.45 66.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.95 -26.93 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' A' ' 67' ' ' PHE . 51.1 mt -83.68 -52.62 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -57.42 -31.48 65.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.0 ptm180 -71.44 -31.91 67.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 10.5 t -65.67 -43.4 89.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.4 t30 58.78 45.63 15.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.485 ' HD2' ' CE2' ' A' ' 130' ' ' TYR . 27.8 mtmt -134.8 81.11 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -36.3 126.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.46 -20.89 10.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -57.37 151.68 15.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 128' ' ' LEU . 33.7 p90 -151.01 153.14 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.672 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.5 pp -156.88 133.48 10.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.49 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 9.0 mm -94.13 120.9 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.43 ' HD3' HG21 ' A' ' 65' ' ' VAL . 18.7 ptt180 -111.09 127.01 55.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -63.92 140.97 58.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.472 ' NE2' ' HB3' ' A' ' 76' ' ' PRO . 3.9 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.623 0.725 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.537 ' HB2' ' CD1' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.71 -44.38 2.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.537 ' CD1' ' HB2' ' A' ' 61' ' ' PRO . 28.2 m-85 -145.54 174.91 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.414 HG23 ' HA ' ' A' ' 76' ' ' PRO . 25.0 m -142.13 121.33 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.606 HD21 HD11 ' A' ' 113' ' ' LEU . 43.4 tp -79.97 145.7 32.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.886 HG13 HD22 ' A' ' 74' ' ' ASN . 15.4 t -133.53 96.94 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.64 120.51 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.037 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.46 ' HB2' HD22 ' A' ' 39' ' ' LEU . 44.7 t80 -87.02 118.52 26.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.3 t80 -105.06 -178.23 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -49.34 87.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' PHE . 22.8 mmmt 63.52 39.09 9.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -150.52 157.71 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.454 HG13 HG12 ' A' ' 65' ' ' VAL . 61.3 t -134.16 117.88 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -108.06 117.29 33.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.886 HD22 HG13 ' A' ' 65' ' ' VAL . 1.6 m120 -96.79 101.81 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.1 mt -100.82 122.11 50.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.472 ' HB3' ' NE2' ' A' ' 60' ' ' GLN . 54.2 Cg_endo -69.73 130.55 19.57 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 77' ' ' VAL . 89.8 t -96.31 76.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 ttm-85 -56.13 158.73 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -122.73 102.19 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mp -78.37 93.27 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 82' ' ' ALA . 17.9 tt0 -57.55 -37.57 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -35.35 -39.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 p -129.38 2.02 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 63.94 40.05 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -119.36 174.21 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.527 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 9.7 m-85 -122.06 144.39 48.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -138.36 150.56 46.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.434 HD21 ' CG2' ' A' ' 104' ' ' ILE . 4.0 mm? -81.35 141.25 34.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 179.909 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.901 0.381 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' A' ' 104' ' ' ILE . 59.2 m-85 -117.19 -46.21 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.13 -35.76 3.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.527 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 1.9 m -161.95 159.48 26.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.837 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 62' ' ' TYR . 91.2 t -52.31 -48.81 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.0 t -52.27 -46.82 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -55.07 -56.46 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.578 HG12 ' CD1' ' A' ' 98' ' ' PHE . 97.0 mt -41.93 -36.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.33 -48.44 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -54.37 -41.84 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 m -68.74 -45.68 70.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.419 ' NE2' ' HG ' ' A' ' 113' ' ' LEU . 5.2 m-70 -57.9 -37.38 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 108' ' ' HIS . 80.4 mt-30 -37.15 -36.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -104.39 -48.36 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' HIS . 80.8 m-20 -84.16 140.08 39.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HA ' ' CG ' ' A' ' 127' ' ' ARG . 53.9 Cg_endo -69.84 139.18 39.32 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.643 2.228 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.606 HD11 HD21 ' A' ' 64' ' ' LEU . 2.5 tt -83.77 93.27 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 114' ' ' VAL . 7.9 p -59.27 119.06 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.408 ' CD2' HD22 ' A' ' 113' ' ' LEU . 27.8 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.867 0.365 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 59.9 p -98.85 136.87 38.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.3 t -146.17 129.06 16.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.409 ' CG ' ' HA ' ' A' ' 112' ' ' PRO . 80.5 mtt180 -74.83 151.24 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 48' ' ' PHE . 51.4 mt -79.53 109.59 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -108.15 -44.71 4.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.485 ' CE2' ' HD2' ' A' ' 44' ' ' LYS . 11.6 m-85 -103.85 152.13 22.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.431 ' HB1' ' HB3' ' A' ' 25' ' ' TRP . . . -132.06 92.52 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 67.2 t -88.48 135.21 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -120.52 98.56 6.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.599 HG12 ' HB1' ' A' ' 27' ' ' ALA . 14.9 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.801 0.334 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.17 -46.95 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -59.52 -46.51 88.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.914 ' HA ' HD12 ' A' ' 20' ' ' LEU . 27.6 tt0 -44.05 -40.13 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.37 -44.28 54.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -84.76 22.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 17' ' ' GLU . 23.2 mt -128.23 -30.2 2.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.613 HD23 ' HE2' ' A' ' 26' ' ' TYR . 18.9 mt -61.64 130.69 47.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.73 -38.68 3.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 59.8 mmtt -44.32 138.22 3.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.508 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 20.3 p-90 -109.43 -23.45 11.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.613 ' HE2' HD23 ' A' ' 21' ' ' LEU . 30.0 t80 -66.43 96.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.636 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -65.94 -21.13 66.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.516 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 88.48 -138.75 15.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.15 39.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -81.94 165.71 20.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.31 171.97 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -74.23 -31.42 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -64.12 -62.74 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.689 ' HB3' HG21 ' A' ' 134' ' ' VAL . 33.0 m -48.52 -41.76 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -55.57 -51.05 68.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.42 -39.41 93.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -57.76 -60.8 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' HG11 ' A' ' 132' ' ' VAL . . . -47.51 -25.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.748 HD22 ' CB ' ' A' ' 67' ' ' PHE . 14.9 mt -84.04 -54.23 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.486 ' NE2' HG23 ' A' ' 72' ' ' VAL . 27.9 m-70 -58.04 -31.13 66.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 42' ' ' SER . 10.6 ptm180 -72.82 -35.22 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 13.1 t -63.25 -46.37 87.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 62.68 45.78 5.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.54 ' HE3' ' CE2' ' A' ' 130' ' ' TYR . 21.1 mtpp -133.9 83.76 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -37.8 116.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.43 -24.01 4.75 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.429 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 27.5 m -54.84 153.89 5.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.531 ' CG ' HD22 ' A' ' 128' ' ' LEU . 30.7 p90 -155.56 153.12 29.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.9 pp -154.66 137.15 15.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.42 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 3.8 mm -96.63 118.35 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -105.18 126.63 52.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 26.2 tttp -78.88 136.0 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.876 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 7.0 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.564 0.697 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 60' ' ' GLN . 53.7 Cg_endo -69.74 -37.7 8.86 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.724 2.282 . . . . 0.0 112.335 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.437 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 19.9 m-85 -144.47 166.11 26.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 75' ' ' ILE . 86.9 m -142.6 126.53 17.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 48' ' ' PHE . 12.3 tp -88.41 138.25 31.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 39' ' ' LEU . 57.4 t -124.48 98.02 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.23 117.4 25.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.748 ' CB ' HD22 ' A' ' 39' ' ' LEU . 45.5 t80 -83.31 118.84 23.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -105.96 -178.74 3.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -46.96 92.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' PHE . 7.4 mmmm 58.6 33.36 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -142.34 164.3 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.486 HG23 ' NE2' ' A' ' 40' ' ' HIS . 46.6 t -140.85 121.56 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -114.68 114.01 25.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 0.2 OUTLIER -101.34 97.1 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 63' ' ' THR . 17.8 mt -93.26 130.56 35.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 134.99 29.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.366 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.437 HG22 HD13 ' A' ' 88' ' ' LEU . 84.2 t -110.13 75.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -62.49 159.7 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -118.64 124.07 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.526 HD13 ' CE2' ' A' ' 97' ' ' TYR . 5.1 mp -102.17 99.39 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 82' ' ' ALA . 26.5 tt0 -61.23 -40.02 92.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.47 -37.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.1 p -134.34 6.23 3.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm 57.66 43.47 22.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -116.86 177.24 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 7.8 m-85 -134.81 135.82 42.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -125.6 157.13 37.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.437 HD13 HG22 ' A' ' 77' ' ' VAL . 4.0 mm? -96.72 135.05 39.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.897 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.526 ' CE2' HD13 ' A' ' 80' ' ' ILE . 5.2 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CD1' HG12 ' A' ' 104' ' ' ILE . 4.8 m-85 -131.32 162.2 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.37 -42.92 93.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.7 m -145.48 -177.53 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.864 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.21 -52.82 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.7 t -47.72 -37.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -62.51 -43.88 97.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.581 HG12 ' CD1' ' A' ' 98' ' ' PHE . 62.0 mt -49.74 -42.47 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.34 -46.88 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -59.07 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -47.35 -27.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 110' ' ' HIS . 2.9 m-70 -80.52 -42.31 22.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' HIS . 87.8 mt-30 -34.38 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' HIS . 11.9 m170 -98.17 -48.84 4.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 108' ' ' HIS . 13.4 m-80 -97.85 137.02 20.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 142.5 48.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.309 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.5 tp -89.7 89.84 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.419 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 77.7 t -38.72 136.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.419 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 35.0 p -101.09 162.99 12.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.8 t -159.91 141.45 12.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -89.1 131.77 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.531 HD22 ' CG ' ' A' ' 48' ' ' PHE . 20.6 mt -56.96 114.51 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -115.97 -42.45 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.54 ' CE2' ' HE3' ' A' ' 44' ' ' LYS . 12.1 m-85 -105.1 155.87 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -134.58 97.16 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 38' ' ' ALA . 55.1 t -87.3 130.73 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -113.99 104.61 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 34' ' ' SER . 9.8 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -46.44 88.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -54.77 -40.36 69.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 20' ' ' LEU . 37.9 tt0 -52.9 -36.26 59.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.04 80.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -89.05 20.47 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 17' ' ' GLU . 42.6 mt -129.58 -31.02 2.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.473 HD23 ' HE2' ' A' ' 26' ' ' TYR . 79.1 mt -60.67 124.09 19.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.85 -35.63 4.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -49.83 140.41 15.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -11.78 31.59 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.497 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 21.8 p-90 -105.17 -30.5 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 18.5 t80 -62.43 98.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.48 -11.8 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.512 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 71.56 -117.2 6.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.34 44.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.5 m -78.26 166.17 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.19 134.24 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.439 ' NH1' ' OE2' ' A' ' 36' ' ' GLU . 39.0 ttp85 -47.53 -38.02 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -58.45 -48.9 79.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.1 m -63.26 -35.4 80.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.723 ' HB1' HD21 ' A' ' 49' ' ' LEU . . . -59.07 -45.85 89.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 32' ' ' ARG . 76.8 mt-10 -67.62 -30.85 70.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.92 -49.78 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.464 ' HA ' ' NE ' ' A' ' 41' ' ' ARG . . . -65.0 -27.25 68.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.828 HD22 ' HB2' ' A' ' 67' ' ' PHE . 17.8 mt -81.28 -49.01 11.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.502 ' CE1' HG23 ' A' ' 72' ' ' VAL . 30.9 m-70 -62.79 -31.98 73.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' A' ' 38' ' ' ALA . 6.3 ptp180 -74.44 -29.95 61.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 t -58.33 -40.93 83.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 t30 53.16 34.05 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -128.05 83.23 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -38.09 118.77 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.96 -24.76 5.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.492 ' HB3' HG23 ' A' ' 132' ' ' VAL . 9.0 m -56.87 155.96 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.822 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 128' ' ' LEU . 24.5 p90 -157.49 162.85 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.723 HD21 ' HB1' ' A' ' 35' ' ' ALA . 2.4 pp -160.14 140.21 11.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 64' ' ' LEU . 21.5 mm -101.39 112.58 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -101.14 124.55 47.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 22.7 ttpt -68.65 141.94 55.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.901 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 5.9 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.544 0.688 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.46 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.75 -38.16 8.2 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 61' ' ' PRO . 14.1 m-85 -142.55 166.55 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.9 m -142.59 123.6 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.163 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.679 HD21 ' CD1' ' A' ' 113' ' ' LEU . 11.3 tp -87.2 129.82 34.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.33 102.02 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.0 119.27 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.828 ' HB2' HD22 ' A' ' 39' ' ' LEU . 66.7 t80 -82.8 118.0 23.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -104.47 177.9 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.45 92.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' PHE . 23.1 mmmt 62.12 38.11 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -151.19 167.42 27.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.502 HG23 ' CE1' ' A' ' 40' ' ' HIS . 47.2 t -143.81 120.6 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -113.61 111.55 22.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -99.84 97.05 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.8 mt -89.83 127.49 53.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.508 ' CG ' ' NH1' ' A' ' 78' ' ' ARG . 53.5 Cg_endo -69.82 122.27 8.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.95 76.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH1' ' CG ' ' A' ' 76' ' ' PRO . 1.3 mpt_? -58.41 174.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -138.99 120.21 14.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.45 115.68 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -74.4 -39.07 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -37.47 -40.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.3 p -127.45 -8.05 5.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.26 37.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -109.98 -176.18 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.4 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.7 m-85 -127.76 156.6 42.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -149.27 154.59 39.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.21 140.08 29.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.541 ' CD1' HG12 ' A' ' 104' ' ' ILE . 48.7 m-85 -141.55 114.14 8.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -39.48 -39.58 1.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 m -148.7 168.75 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.7 -45.63 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.89 -35.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.72 -43.12 94.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.541 HG12 ' CD1' ' A' ' 98' ' ' PHE . 75.0 mt -52.55 -47.39 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.608 HG13 ' CD1' ' A' ' 128' ' ' LEU . 90.7 t -71.56 -46.52 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -54.04 -65.21 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.517 ' O ' ' CD2' ' A' ' 110' ' ' HIS . 1.9 m -47.41 -33.74 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 104' ' ' ILE . 4.9 m-70 -70.91 -33.85 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -40.22 -33.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 107' ' ' SER . 25.2 p80 -105.65 -46.84 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 107' ' ' SER . 2.1 p30 -87.9 141.04 31.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.747 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.95 49.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.679 ' CD1' HD21 ' A' ' 64' ' ' LEU . 2.6 tt -89.63 87.43 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.485 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.2 p -49.1 126.22 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 29.0 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.761 0.315 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.485 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.3 p -105.11 135.81 45.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.8 t -144.17 135.26 25.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -78.99 164.81 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.608 ' CD1' HG13 ' A' ' 105' ' ' VAL . 47.7 mt -91.79 107.5 19.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -106.67 -44.83 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 1.9 m-85 -105.82 150.63 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -127.56 97.47 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 47' ' ' SER . 85.0 t -78.86 121.15 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -105.99 102.72 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.435 ' CG2' HD22 ' A' ' 49' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -41.88 91.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -57.92 -34.79 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 20' ' ' LEU . 12.8 tt0 -57.33 -37.71 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.39 -41.11 62.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -88.39 18.53 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 17' ' ' GLU . 32.5 mt -126.48 -32.23 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.39 124.86 22.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.35 -32.32 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 59.1 mmtt -51.49 136.89 32.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.76 36.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.457 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 17.0 p-90 -94.02 -30.61 14.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 24.6 t80 -58.6 96.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -66.58 -14.32 62.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.51 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.5 -138.12 21.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.29 51.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.3 t -85.5 171.36 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.39 135.42 39.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 27.2 ttt180 -44.32 -40.11 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -57.64 -54.61 44.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.516 ' HB3' HG21 ' A' ' 134' ' ' VAL . 4.9 m -52.97 -39.63 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -56.98 -36.92 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -80.95 -39.78 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.47 -55.18 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.683 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -55.41 -24.59 31.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.771 HD22 ' HB2' ' A' ' 67' ' ' PHE . 27.3 mt -83.82 -51.03 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -58.38 -30.68 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 42' ' ' SER . 18.9 ptt180 -73.35 -30.86 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 7.9 t -59.19 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 t30 63.87 35.61 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' ASP . 22.1 mtpp -128.76 82.3 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' LYS . 1.1 p-10 -37.15 117.99 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.36 -16.47 6.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -62.08 156.51 21.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 20.7 p90 -157.0 156.51 33.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 49' ' ' LEU . 4.0 pp -162.35 130.92 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.558 HD13 ' HA ' ' A' ' 64' ' ' LEU . 9.1 mm -89.9 118.16 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.457 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 21.1 ptt180 -109.53 126.89 54.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -63.83 141.48 58.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.844 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.588 0.708 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.463 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.78 -40.15 5.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.463 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 19.1 m-85 -145.19 178.39 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.1 m -151.14 126.09 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.558 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.6 tp -82.82 136.9 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.418 HG21 ' HD3' ' A' ' 51' ' ' ARG . 21.8 t -122.91 100.21 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.19 115.27 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.771 ' HB2' HD22 ' A' ' 39' ' ' LEU . 48.6 t80 -83.32 118.69 23.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -104.29 177.48 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -47.02 91.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' PHE . 33.9 mmtm 60.54 38.07 19.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -149.4 157.0 42.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.2 t -130.98 123.76 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -114.56 117.67 31.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -97.81 102.25 13.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 63' ' ' THR . 34.6 mt -97.29 122.05 56.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 127.03 14.02 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.358 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.91 80.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -63.03 159.06 17.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 40.8 t80 -128.7 126.04 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.8 96.7 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' ALA . 3.6 tp10 -55.19 -40.83 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -37.38 -44.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 p -123.32 8.39 9.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 25.7 mmtm 53.61 38.52 28.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -107.4 -179.08 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.541 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.8 m-85 -127.52 156.9 41.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.884 ' C ' HD23 ' A' ' 88' ' ' LEU . . . -152.21 166.43 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.884 HD23 ' C ' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -108.88 166.95 10.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.428 179.875 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.458 ' O ' ' CG ' ' A' ' 98' ' ' PHE . 71.3 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.921 0.391 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.541 ' CD2' HG12 ' A' ' 104' ' ' ILE . 91.4 m-85 -159.07 115.83 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -37.2 -40.13 0.54 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.8 m -147.95 177.92 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.399 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.463 ' HA ' HD12 ' A' ' 104' ' ' ILE . 92.4 t -68.69 -42.04 82.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.53 -43.05 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -56.9 -37.64 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 86' ' ' TYR . 72.8 mt -58.77 -45.0 91.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.57 HG13 HD13 ' A' ' 128' ' ' LEU . 96.4 t -72.7 -50.79 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -57.8 -56.78 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -54.98 -23.22 18.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.736 ' CD2' HD22 ' A' ' 113' ' ' LEU . 2.0 m-70 -89.31 -35.23 16.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -37.61 -39.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -101.78 -50.87 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' HIS . 76.4 m-20 -77.85 138.39 61.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 143.64 51.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.736 HD22 ' CD2' ' A' ' 108' ' ' HIS . 9.7 tp -106.25 89.71 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.3 t -49.04 115.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.563 ' CD2' HD11 ' A' ' 75' ' ' ILE . 9.4 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.2 p -163.41 147.4 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.1 t -147.89 144.76 28.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -93.2 134.7 35.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.57 HD13 HG13 ' A' ' 105' ' ' VAL . 22.7 mt -56.93 113.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -112.55 -40.42 4.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 18.2 m-85 -111.78 159.42 18.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.75 96.41 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.11 133.07 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -113.34 103.58 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.683 HG23 ' HB2' ' A' ' 38' ' ' ALA . 1.8 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.22 -40.54 77.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -60.22 -33.26 72.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.736 ' HA ' HD12 ' A' ' 20' ' ' LEU . 7.2 tt0 -59.42 -37.3 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.12 -44.12 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -87.0 22.54 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 17' ' ' GLU . 31.4 mt -129.3 -31.52 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.41 129.06 38.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.45 -33.82 5.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 69.6 mmtt -51.38 139.2 27.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -21.81 32.87 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.73 2.286 . . . . 0.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CZ3' HG13 ' A' ' 50' ' ' ILE . 26.7 p-90 -91.31 -15.22 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.514 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 37.7 t80 -74.26 97.56 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.931 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.87 -14.5 63.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.064 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.514 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.94 -158.17 46.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.14 42.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.727 0.298 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.6 p -73.87 -177.47 2.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' SER . 3.2 m-20 -106.02 139.92 39.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 32' ' ' ARG . 20.1 ttp-105 -37.22 -43.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -59.71 -45.07 93.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.901 ' HB3' HG21 ' A' ' 134' ' ' VAL . 4.6 m -63.12 -44.03 96.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.645 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -61.78 -47.85 83.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.599 ' HG2' HG11 ' A' ' 72' ' ' VAL . 50.4 mt-10 -65.94 -49.78 66.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -51.8 -58.95 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 41' ' ' ARG . . . -48.47 -28.88 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.716 HD22 ' CB ' ' A' ' 67' ' ' PHE . 36.7 mt -81.1 -57.8 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.418 ' CE1' HG23 ' A' ' 72' ' ' VAL . 26.9 m-70 -52.62 -31.72 38.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 38' ' ' ALA . 4.0 ptm180 -78.0 -27.59 49.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -67.89 -46.55 71.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 61.5 43.3 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.577 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 30.3 mttt -129.27 84.05 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.07 123.51 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.29 -21.32 10.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 m -56.75 160.21 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 26.6 p90 -160.22 160.64 32.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.931 HD13 ' HB2' ' A' ' 27' ' ' ALA . 2.4 pp -162.92 129.68 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.562 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 9.5 mm -86.84 118.36 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -104.27 131.91 51.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -83.23 135.43 34.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.601 0.715 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.88 9.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.456 ' CD2' HG21 ' A' ' 101' ' ' VAL . 12.9 m-85 -145.49 167.1 23.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 75' ' ' ILE . 69.7 m -142.74 121.75 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.192 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.6 tp -80.5 136.42 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 t -124.3 100.11 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.6 120.25 29.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.716 ' CB ' HD22 ' A' ' 39' ' ' LEU . 41.0 t80 -90.1 116.77 28.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.05 -173.89 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 3.3 m120 -49.31 86.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' PHE . 26.3 mmmt 64.83 24.97 12.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 2.1 mmp_? -127.21 164.41 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.599 HG11 ' HG2' ' A' ' 36' ' ' GLU . 82.7 t -139.79 122.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -118.93 113.24 20.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -97.93 100.68 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.623 ' O ' HG23 ' A' ' 63' ' ' THR . 27.1 mt -100.24 124.18 44.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.04 20.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.79 77.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -54.79 171.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -136.37 111.98 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.47 103.6 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 82' ' ' ALA . 25.6 tt0 -64.63 -35.9 82.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.79 -37.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 p -134.11 2.68 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 62.63 40.5 10.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -111.05 -175.93 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.47 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.1 m-85 -134.76 144.62 47.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -132.63 167.68 19.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -104.61 135.32 46.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.923 0.392 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CD2' HG12 ' A' ' 104' ' ' ILE . 90.1 m-85 -133.48 145.97 50.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.46 -37.18 92.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -154.19 173.8 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.456 HG21 ' CD2' ' A' ' 62' ' ' TYR . 90.2 t -64.03 -46.73 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.4 t -50.89 -40.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -59.29 -43.81 92.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.527 HG12 ' CD2' ' A' ' 98' ' ' PHE . 75.0 mt -51.89 -32.8 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.07 -41.68 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -64.74 -58.8 5.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -54.55 -26.9 34.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.512 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.8 OUTLIER -79.5 -40.12 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 108' ' ' HIS . 26.8 mt-30 -36.68 -42.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -99.77 -41.6 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -89.65 131.06 41.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.419 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 53.8 Cg_endo -69.74 142.45 48.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.392 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 108' ' ' HIS . 46.1 tp -101.8 84.17 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 89.5 t -33.61 128.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 14.9 p -108.4 145.97 33.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -147.16 138.59 24.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 24.5 mtm180 -89.86 131.33 35.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 26.7 mt -54.28 121.47 8.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -124.67 -35.34 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.577 ' CD2' ' HD3' ' A' ' 44' ' ' LYS . 2.1 m-85 -111.97 148.14 34.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.64 98.58 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 99.6 t -88.5 132.3 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -119.31 103.76 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.901 HG21 ' HB3' ' A' ' 34' ' ' SER . 13.8 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.09 -43.47 73.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -62.39 -43.12 99.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.741 ' HA ' HD12 ' A' ' 20' ' ' LEU . 6.2 tt0 -49.15 -42.65 40.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.15 -42.58 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -93.48 26.7 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.741 HD12 ' HA ' ' A' ' 17' ' ' GLU . 31.2 mt -130.4 -32.16 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.619 HD23 ' HE2' ' A' ' 26' ' ' TYR . 52.5 mt -61.86 127.08 29.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.91 -36.2 4.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.474 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -43.07 138.32 2.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -4.26 13.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -113.74 -24.75 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.619 ' HE2' HD23 ' A' ' 21' ' ' LEU . 32.9 t80 -66.7 98.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.649 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -66.15 -21.09 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 83.48 -124.91 6.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.27 39.55 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.4 162.32 27.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.43 165.34 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -61.36 -36.55 80.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.3 tttt -63.39 -61.91 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.643 ' HB3' HG11 ' A' ' 134' ' ' VAL . 15.1 m -43.13 -40.4 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.44 -41.34 93.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.25 -28.02 61.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.06 -58.81 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.67 -23.49 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.594 HD22 ' HB2' ' A' ' 67' ' ' PHE . 46.8 mt -86.79 -51.22 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -61.27 -30.22 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.9 ptt85 -72.28 -36.46 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 t -57.34 -45.52 84.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 61.42 40.81 13.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 34.3 mtpt -132.33 82.22 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -36.65 121.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.03 -26.22 5.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 m -51.62 159.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.635 ' CG ' HD22 ' A' ' 128' ' ' LEU . 24.4 p90 -161.16 151.41 17.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.649 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.9 pp -156.76 134.23 10.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.738 HD13 ' HA ' ' A' ' 64' ' ' LEU . 18.9 mm -91.76 126.56 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -115.22 127.61 55.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -67.81 140.49 56.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.575 0.703 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 60' ' ' GLN . 53.6 Cg_endo -69.73 -38.73 7.46 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -131.19 168.16 17.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 75' ' ' ILE . 85.6 m -142.75 128.65 19.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.738 ' HA ' HD13 ' A' ' 50' ' ' ILE . 8.4 tp -87.0 125.77 34.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.496 HG22 ' HB3' ' A' ' 74' ' ' ASN . 45.9 t -114.98 103.83 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.25 120.87 33.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.594 ' HB2' HD22 ' A' ' 39' ' ' LEU . 49.1 t80 -83.44 122.02 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -109.85 178.76 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -45.43 92.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' PHE . 34.1 mmtm 58.19 36.89 26.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HG2' ' C ' ' A' ' 70' ' ' LYS . 20.9 mmt85 -145.5 169.7 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.7 t -147.06 122.26 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -116.83 112.54 21.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.496 ' HB3' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -99.08 99.92 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 63' ' ' THR . 24.4 mt -94.12 127.6 44.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 120.85 7.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.362 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.472 HG12 ' HD2' ' A' ' 86' ' ' TYR . 95.6 t -83.6 79.81 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 -59.44 155.88 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -129.8 123.64 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 80' ' ' ILE . 4.5 mp -101.77 118.81 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 82' ' ' ALA . 49.3 tt0 -71.37 -37.39 71.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.94 -40.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 38.5 p -132.07 6.4 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.32 39.21 28.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 97' ' ' TYR . 30.8 mt-30 -110.85 176.37 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.546 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 51.0 m-85 -119.58 152.26 37.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.18 169.18 18.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.31 133.29 55.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.444 ' C ' ' OE1' ' A' ' 85' ' ' GLN . 94.0 m-85 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.913 0.387 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -110.82 157.51 19.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.62 -39.45 67.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.451 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.546 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.5 m -155.88 177.15 11.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.554 ' HA ' HD12 ' A' ' 104' ' ' ILE . 86.2 t -60.96 -48.89 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -49.21 -51.01 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -50.64 -44.8 57.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 101' ' ' VAL . 87.4 mt -51.14 -43.38 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.446 HG13 HD13 ' A' ' 128' ' ' LEU . 97.0 t -76.57 -55.12 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.43 ' HA ' ' CD ' ' A' ' 109' ' ' GLN . 34.6 m-20 -47.76 -51.49 22.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -64.7 -50.65 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.606 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -51.16 -44.66 61.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 108' ' ' HIS . 58.8 mt-30 -33.86 -40.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -99.97 -45.74 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -86.29 132.68 42.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.44 47.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.606 HD22 ' CD2' ' A' ' 108' ' ' HIS . 21.2 tp -113.92 92.87 4.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 113' ' ' LEU . 7.6 p -36.58 139.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.557 HD23 HD11 ' A' ' 75' ' ' ILE . 47.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.5 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.859 0.362 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 85.6 p -80.17 159.04 26.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.8 t -171.04 140.22 1.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -89.83 140.13 29.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.635 HD22 ' CG ' ' A' ' 48' ' ' PHE . 30.2 mt -59.74 114.51 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -112.27 -44.03 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.582 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.9 m-85 -109.25 154.1 22.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -128.26 94.86 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.6 102.56 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -94.16 111.25 22.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 34' ' ' SER . 1.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.791 0.329 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.0 -47.64 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -56.42 -37.5 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.65 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.1 tp10 -55.12 -40.14 70.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.35 -32.68 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -98.12 24.9 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 17' ' ' GLU . 39.6 mt -129.0 -30.59 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.713 HD23 ' HE2' ' A' ' 26' ' ' TYR . 51.0 mt -65.64 128.18 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.54 -33.35 6.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -45.16 138.65 4.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.25 15.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 25.9 p-90 -113.05 -25.2 9.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.713 ' HE2' HD23 ' A' ' 21' ' ' LEU . 23.5 t80 -66.32 95.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.732 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -69.51 -16.3 63.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.492 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.35 -149.26 35.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.76 46.8 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.312 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.5 t -83.4 163.39 20.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.02 141.22 58.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -50.42 -54.41 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -45.11 -57.13 4.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.54 ' HB3' HG21 ' A' ' 134' ' ' VAL . 66.9 m -50.61 -49.83 55.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.449 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -50.37 -46.55 56.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -69.34 -39.54 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -61.96 -59.58 4.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.19 -25.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.577 ' CD1' HG12 ' A' ' 65' ' ' VAL . 19.1 mt -88.31 -46.56 9.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -61.61 -29.01 69.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -71.83 -41.22 68.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -53.67 -52.41 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 68.75 42.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 37.9 mtpt -131.33 85.73 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.62 113.64 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.69 -24.7 3.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.488 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 4.4 m -51.66 154.3 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.796 ' HB3' HD22 ' A' ' 128' ' ' LEU . 20.7 p90 -153.6 156.93 38.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.775 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.3 pp -166.43 126.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 64' ' ' LEU . 11.0 mm -86.94 124.97 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -114.15 121.59 44.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 53' ' ' SER . 15.6 tttm -43.56 152.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' LYS . 7.9 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.571 0.701 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -35.86 11.94 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.516 ' CD2' HG21 ' A' ' 101' ' ' VAL . 50.1 m-85 -133.44 172.91 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.937 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 75' ' ' ILE . 60.1 m -145.58 145.72 31.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.648 ' HA ' HD13 ' A' ' 50' ' ' ILE . 21.5 tp -100.25 145.54 27.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.577 HG12 ' CD1' ' A' ' 39' ' ' LEU . 59.4 t -131.21 97.88 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.28 122.3 36.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -93.16 115.99 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.513 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -103.6 -171.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -47.35 95.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm 52.52 49.57 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.513 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 9.6 ptp180 -169.28 168.79 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.574 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 64.0 t -144.28 143.62 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -120.05 125.47 48.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -102.25 101.19 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.437 ' O ' HG23 ' A' ' 63' ' ' THR . 22.7 mt -104.1 122.94 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.698 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.695 2.264 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.5 t -83.88 80.26 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -58.78 170.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 7.6 t80 -145.71 118.78 8.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 80' ' ' ILE . 4.8 mp -90.18 128.76 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' ALA . 30.6 tt0 -78.12 -48.32 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -35.53 -37.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.4 p -125.09 -2.64 7.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 8.2 mmmm 55.63 41.89 30.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -114.19 169.38 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.465 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 59.0 m-85 -108.16 153.73 22.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.09 167.24 22.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.42 135.18 50.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.432 ' H ' HG22 ' A' ' 75' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.909 0.385 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.447 ' CD1' HG12 ' A' ' 104' ' ' ILE . 7.1 m-85 -120.2 163.86 17.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.05 -38.92 21.44 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.465 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.5 m -148.35 175.98 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.516 HG21 ' CD2' ' A' ' 62' ' ' TYR . 89.7 t -65.82 -45.37 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.067 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.5 t -51.55 -44.75 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -57.49 -43.81 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.547 ' O ' ' CG ' ' A' ' 108' ' ' HIS . 93.9 mt -54.38 -38.83 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.7 t -78.34 -54.63 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -49.99 -48.71 52.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -66.8 -42.9 85.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.798 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.6 OUTLIER -60.3 -39.54 87.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -37.92 -42.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.495 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 10.5 m-70 -97.59 -51.76 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 108' ' ' HIS . 37.4 m-80 -80.69 134.49 53.86 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.64 0.733 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 144.04 52.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.798 HD22 ' CD2' ' A' ' 108' ' ' HIS . 43.8 tp -111.01 84.82 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.48 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 9.7 p -43.73 131.05 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 1.3 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.77 0.319 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 28.4 p -109.78 143.1 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.2 t -151.48 154.4 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 110' ' ' HIS . 10.9 mtm-85 -103.01 116.45 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.796 HD22 ' HB3' ' A' ' 48' ' ' PHE . 48.2 mt -41.69 111.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -112.59 -40.37 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.6 m-85 -110.05 145.34 37.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -122.51 95.08 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 93.0 t -98.33 116.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -104.54 131.34 52.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.732 HG12 ' HB1' ' A' ' 27' ' ' ALA . 6.0 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.332 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.32 -50.71 71.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -57.13 -38.08 72.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.672 ' HA ' HD12 ' A' ' 20' ' ' LEU . 5.9 tt0 -51.41 -41.76 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.74 -35.71 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.43 25.8 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 17' ' ' GLU . 39.3 mt -129.52 -31.68 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.815 HD23 ' HE2' ' A' ' 26' ' ' TYR . 28.5 mt -64.06 129.7 41.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.42 -34.56 5.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.521 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 26' ' ' TYR . 36.4 mmtt -48.79 140.9 10.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -19.35 36.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.544 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 29.0 p-90 -99.82 -24.85 14.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.815 ' HE2' HD23 ' A' ' 21' ' ' LEU . 28.3 t80 -70.07 94.64 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.552 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.22 -20.28 64.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.47 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 76.37 -149.27 36.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.51 47.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.4 m -90.38 159.42 16.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.02 158.28 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 21.0 ttm105 -66.1 -42.53 89.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -48.47 -58.35 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 m -57.07 -32.02 65.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -45.13 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -73.88 -39.04 64.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.29 -55.37 14.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' HG11 ' A' ' 132' ' ' VAL . . . -53.49 -25.24 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 67' ' ' PHE . 31.1 mt -85.52 -48.87 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.405 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 25.3 m-70 -61.49 -30.33 70.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.3 ptm180 -71.78 -33.81 68.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.467 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 14.4 t -60.78 -46.92 88.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 t30 64.81 37.52 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 12.1 mmmt -123.76 83.74 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.59 115.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.14 -19.76 6.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 m -53.37 152.65 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.658 ' HB3' HD22 ' A' ' 128' ' ' LEU . 26.9 p90 -149.21 151.29 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.8 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.5 pp -158.7 130.47 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.423 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 6.4 mm -87.92 135.43 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 1.2 ptm85 -128.98 122.78 30.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -64.05 139.56 58.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.631 0.729 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -42.96 2.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.486 ' CD2' HG21 ' A' ' 101' ' ' VAL . 44.7 m-85 -140.61 168.49 19.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 75' ' ' ILE . 22.4 m -143.33 122.76 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.461 ' CD2' ' CD1' ' A' ' 113' ' ' LEU . 25.5 tp -81.89 141.49 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 24.5 t -125.14 97.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.56 119.33 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.477 ' HB2' HD22 ' A' ' 39' ' ' LEU . 62.0 t80 -88.91 116.52 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.21 -176.03 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.468 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 34.8 p-10 -48.15 87.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 68' ' ' PHE . 30.5 mmtp 64.24 32.58 12.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -142.59 163.94 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 59.0 t -137.67 122.65 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -110.16 118.18 35.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -96.71 104.48 16.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.488 HD11 HD23 ' A' ' 115' ' ' LEU . 42.3 mt -103.97 120.88 49.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 118.67 5.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.9 t -89.03 83.71 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 mtt85 -65.75 163.92 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 31.9 t80 -131.03 130.63 43.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.9 126.24 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' ALA . 34.8 tt0 -73.91 -41.6 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.37 -53.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 p -117.71 8.54 12.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 26.7 mmtm 50.75 42.32 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -111.82 -178.15 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.514 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 33.6 m-85 -122.97 151.83 41.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.869 ' C ' HD23 ' A' ' 88' ' ' LEU . . . -143.57 172.26 13.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.869 HD23 ' C ' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -109.48 163.01 13.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.891 0.376 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD2' HG12 ' A' ' 104' ' ' ILE . 78.4 m-85 -142.84 120.08 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.58 -44.29 0.43 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.514 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.6 m -154.49 179.94 8.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.486 HG21 ' CD2' ' A' ' 62' ' ' TYR . 89.9 t -61.57 -52.18 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.181 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.533 HG12 ' ND2' ' A' ' 106' ' ' ASN . 84.4 t -49.04 -40.24 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -59.97 -43.52 95.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 98' ' ' PHE . 68.4 mt -51.77 -33.97 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.42 HG13 ' CD1' ' A' ' 128' ' ' LEU . 92.3 t -86.25 -50.33 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.533 ' ND2' HG12 ' A' ' 102' ' ' VAL . 25.9 m-20 -50.65 -51.96 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.72 -45.2 83.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 1.6 m-70 -54.06 -38.89 65.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' HIS . 55.6 mt-30 -34.32 -36.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 108' ' ' HIS . 21.4 m170 -97.58 -53.6 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -81.81 128.33 69.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 139.17 39.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.351 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.461 ' CD1' ' CD2' ' A' ' 64' ' ' LEU . 2.1 tt -86.01 89.86 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 124' ' ' ASP . 5.4 p -51.99 116.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.488 HD23 HD11 ' A' ' 75' ' ' ILE . 18.3 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 114' ' ' VAL . 1.1 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.2 p -170.31 151.78 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.2 t -164.83 142.41 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 -94.38 138.02 32.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.658 HD22 ' HB3' ' A' ' 48' ' ' PHE . 32.4 mt -60.84 106.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -112.38 -43.82 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.568 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 1.9 m-85 -103.75 148.02 26.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.88 100.55 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 38' ' ' ALA . 85.6 t -88.05 147.04 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -121.45 144.68 48.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.784 0.326 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.5 -47.71 75.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -57.57 -42.65 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 20' ' ' LEU . 33.6 tt0 -42.96 -42.17 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.37 -41.24 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -84.19 16.6 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 17' ' ' GLU . 30.0 mt -127.22 -32.52 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.41 HD23 ' HE2' ' A' ' 26' ' ' TYR . 62.2 mt -59.57 136.48 58.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 -32.62 6.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -51.58 139.1 29.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -11.25 30.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.584 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 33.7 p-90 -106.79 -27.26 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 30.0 t80 -68.03 98.94 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.512 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -72.4 -16.16 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.466 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 83.68 -115.95 4.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.14 45.07 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.727 0.299 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.0 m -83.3 151.58 25.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -76.11 133.23 40.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -40.39 -40.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -51.67 -61.83 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -55.97 -35.12 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.521 ' HB1' HD21 ' A' ' 49' ' ' LEU . . . -62.84 -41.91 99.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -70.7 -34.02 71.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -68.87 -58.87 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.72 -24.94 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.401 HD22 ' CB ' ' A' ' 67' ' ' PHE . 20.1 mt -84.63 -47.32 10.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.96 -29.87 69.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 42' ' ' SER . 4.7 ptm180 -74.83 -33.98 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.477 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 41.4 t -59.32 -49.73 76.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 65.29 45.21 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.459 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 37.4 mttp -133.54 83.05 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.11 114.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 130.7 -20.74 4.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 m -56.34 150.51 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.788 ' HB3' HD22 ' A' ' 128' ' ' LEU . 27.7 p90 -151.49 151.88 32.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.703 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.9 pp -157.44 127.08 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 64' ' ' LEU . 20.7 mm -85.17 126.92 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -118.41 124.67 48.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -61.42 141.06 57.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.576 0.703 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -47.65 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.238 . . . . 0.0 112.371 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -130.05 -179.03 4.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.4 m -149.99 135.02 17.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD21 HD11 ' A' ' 113' ' ' LEU . 15.7 tp -91.03 147.84 22.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.593 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 43.7 t -133.65 97.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.77 118.11 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CB ' HD22 ' A' ' 39' ' ' LEU . 12.9 t80 -88.03 117.55 26.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.501 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 1.1 t80 -109.85 -177.88 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' PHE . 3.8 t-20 -34.54 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm 42.14 52.31 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.501 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 11.1 ptm180 -164.85 170.63 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.593 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 34.8 t -140.86 134.21 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.41 121.97 46.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.41 92.08 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.45 HG22 ' H ' ' A' ' 89' ' ' GLY . 18.9 mt -94.59 117.37 66.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 121.02 7.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.5 t -88.53 103.92 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 78' ' ' ARG . 9.9 mtm105 -84.22 158.84 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -126.67 100.57 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.428 HD12 ' H ' ' A' ' 80' ' ' ILE . 5.2 mp -76.12 88.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -46.86 -43.52 18.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.7 -39.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.3 p -118.05 4.78 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 50.8 40.78 25.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.443 ' CD ' ' HB3' ' A' ' 97' ' ' TYR . 23.9 mt-30 -124.13 176.09 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.639 ' CB ' HD11 ' A' ' 104' ' ' ILE . 85.3 m-85 -113.9 155.34 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.523 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -135.8 169.62 17.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.523 HD22 ' C ' ' A' ' 87' ' ' ALA . 4.0 mm? -117.83 137.51 52.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.45 ' H ' HG22 ' A' ' 75' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.443 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 35.4 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.952 0.406 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.536 ' CD1' HG12 ' A' ' 104' ' ' ILE . 43.9 m-85 -93.42 113.85 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.14 -43.67 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 m -143.77 174.61 10.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 104' ' ' ILE . 94.5 t -62.11 -48.86 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.0 t -49.54 -44.64 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -54.24 -41.17 68.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.639 HD11 ' CB ' ' A' ' 86' ' ' TYR . 76.3 mt -52.85 -47.89 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 99.5 t -69.32 -45.89 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 109' ' ' GLN . 26.6 m-20 -56.42 -69.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -39.94 -33.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-70 -73.04 -39.03 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 106' ' ' ASN . 96.4 mt-30 -36.07 -35.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -101.11 -57.63 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' HIS . 64.6 m-20 -76.01 141.25 71.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.73 41.01 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.381 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 115' ' ' LEU . 2.4 tt -88.28 101.42 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.42 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 9.6 p -60.85 134.4 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 113' ' ' LEU . 19.0 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 89.5 p -104.95 142.92 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.9 t -150.17 134.88 17.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -79.08 143.16 35.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.788 HD22 ' HB3' ' A' ' 48' ' ' PHE . 83.9 mt -70.83 103.87 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -107.05 -44.16 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.459 ' CD2' ' HD3' ' A' ' 44' ' ' LYS . 3.3 m-85 -101.0 150.42 22.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -133.58 105.24 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 90.6 t -94.2 116.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -99.84 97.7 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 134' ' ' VAL . 1.5 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.82 0.343 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -56.77 15.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -45.98 -47.12 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.943 ' HA ' HD12 ' A' ' 20' ' ' LEU . 56.8 tt0 -47.76 -38.4 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.79 -39.34 62.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.25 28.8 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.943 HD12 ' HA ' ' A' ' 17' ' ' GLU . 19.0 mt -129.65 -31.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.64 126.15 26.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.94 -31.98 6.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 34.0 mmtt -54.9 139.09 63.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.04 31.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.457 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 27.9 p-90 -88.57 -23.72 23.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.523 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 36.9 t80 -69.35 96.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.722 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.42 -17.61 64.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 73.28 -142.51 31.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.25 43.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 111.055 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 t -82.35 160.2 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -59.75 136.38 57.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.474 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 56.9 ttp85 -53.43 -39.22 64.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -62.44 -42.67 99.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.25 -40.9 91.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -51.72 -50.74 59.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -67.1 -39.54 86.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -60.6 -61.79 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.734 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -44.03 -26.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD1' HG12 ' A' ' 65' ' ' VAL . 29.1 mt -87.23 -51.37 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -54.37 -29.11 47.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -77.33 -33.97 55.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -60.93 -49.76 76.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 64.29 45.1 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HD2' ' CE1' ' A' ' 130' ' ' TYR . 21.2 mtmm -134.65 85.04 2.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.36 125.52 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.21 -23.33 8.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 m -55.41 158.83 3.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.831 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.607 ' HB3' HD22 ' A' ' 128' ' ' LEU . 34.5 p90 -159.48 156.97 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.722 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.8 pp -161.6 134.63 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.445 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 16.0 mm -92.04 124.87 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 19.5 ptt180 -116.38 133.83 55.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -70.89 141.16 51.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.866 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -38.14 8.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -144.1 175.34 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 75' ' ' ILE . 62.7 m -145.39 129.51 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.586 ' CD2' HD11 ' A' ' 113' ' ' LEU . 51.6 tp -81.92 146.39 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.602 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 64.2 t -132.46 96.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.89 121.72 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.616 ' HD1' HG22 ' A' ' 72' ' ' VAL . 44.2 t80 -91.76 116.23 28.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 124' ' ' ASP . 0.6 OUTLIER -103.58 -173.74 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -44.59 99.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm 47.78 51.52 14.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 16.1 ptt180 -169.75 162.78 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.616 HG22 ' HD1' ' A' ' 67' ' ' PHE . 21.4 t -136.33 135.81 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -116.01 122.45 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.79 97.68 9.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 63' ' ' THR . 15.9 mt -96.66 131.08 28.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.657 0.741 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 133.16 24.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.4 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.7 t -104.97 79.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.07 140.76 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.44 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 16.6 t80 -99.55 112.87 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.561 HG13 ' CE2' ' A' ' 97' ' ' TYR . 9.1 mm -73.94 80.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -55.47 -40.19 71.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.23 -48.24 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.5 p -119.36 14.68 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER 53.3 41.64 32.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.429 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 75.2 mt-30 -113.2 -174.83 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.578 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 13.7 m-85 -140.91 136.79 32.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.85 ' C ' HD23 ' A' ' 88' ' ' LEU . . . -137.24 165.27 26.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.892 HD23 ' N ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -107.1 162.43 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE2' HG13 ' A' ' 80' ' ' ILE . 3.7 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.905 0.384 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.546 ' CD1' HG12 ' A' ' 104' ' ' ILE . 12.3 m-85 -131.38 171.96 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.72 -29.53 35.11 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.578 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 2.2 m -156.82 172.22 19.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.751 ' HA ' HD12 ' A' ' 104' ' ' ILE . 94.4 t -57.96 -53.28 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.9 t -48.71 -43.77 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.99 -42.51 76.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 101' ' ' VAL . 44.8 mt -49.92 -45.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.409 HG13 ' CZ ' ' A' ' 48' ' ' PHE . 98.5 t -72.6 -45.29 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 109' ' ' GLN . 24.4 m-20 -63.8 -67.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -41.98 -28.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-70 -81.18 -36.26 30.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 106' ' ' ASN . 95.7 mt-30 -34.88 -36.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 108' ' ' HIS . 12.1 m-70 -100.69 -53.14 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 108' ' ' HIS . 30.2 m-20 -79.82 138.44 53.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.49 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 53.4 Cg_endo -69.76 140.28 42.29 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.401 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.586 HD11 ' CD2' ' A' ' 64' ' ' LEU . 2.4 tt -85.38 98.0 10.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.6 p -56.75 130.35 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.6 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.3 p -84.51 134.44 34.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 t -146.58 128.53 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.149 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 23.3 mtt180 -75.94 143.94 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' A' ' 48' ' ' PHE . 41.8 mt -71.71 120.93 17.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -122.82 -42.83 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.418 ' CE1' ' HD2' ' A' ' 44' ' ' LYS . 27.7 m-85 -101.74 149.4 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.3 98.02 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 86.7 t -83.36 139.44 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.93 99.65 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.734 HG23 ' HB2' ' A' ' 38' ' ' ALA . 3.1 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.6 -47.98 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -60.32 -34.42 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' A' ' 20' ' ' LEU . 38.9 tt0 -56.5 -42.63 78.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.19 -40.8 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -81.65 12.81 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 17' ' ' GLU . 26.8 mt -125.39 -27.73 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.99 124.84 21.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.72 -36.14 4.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -41.95 136.41 2.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -7.13 20.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 15.3 p-90 -110.14 -29.99 7.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 28.5 t80 -59.44 94.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -64.79 -21.21 66.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.528 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 78.2 -152.0 37.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.18 44.5 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.9 p -70.07 179.77 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 32' ' ' ARG . 4.8 m-20 -101.01 131.63 46.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ASP . 61.1 ttp85 -34.9 -42.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -61.55 -62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.753 ' HB3' HG21 ' A' ' 134' ' ' VAL . 10.1 m -45.71 -47.64 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.509 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -50.96 -41.93 59.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.155 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' HG2' HG11 ' A' ' 72' ' ' VAL . 49.0 mt-10 -72.21 -40.75 67.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.83 -61.64 2.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -46.42 -23.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.804 HD22 ' HB2' ' A' ' 67' ' ' PHE . 17.2 mt -87.69 -45.9 9.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 27.6 m-70 -64.41 -31.17 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -71.61 -34.65 70.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 t -64.34 -50.82 66.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 t30 64.6 49.05 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.594 ' HD2' ' CD2' ' A' ' 130' ' ' TYR . 20.9 mttt -134.07 93.21 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.455 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 4.6 t0 -51.5 99.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.62 -13.73 2.0 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.3 m -67.69 157.64 34.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.814 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.814 ' CG ' HD22 ' A' ' 128' ' ' LEU . 35.3 p90 -153.25 148.19 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.5 pp -152.59 133.25 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.536 HD13 ' HA ' ' A' ' 64' ' ' LEU . 23.1 mm -93.02 128.31 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.425 ' NH1' ' HG3' ' A' ' 32' ' ' ARG . 19.5 ptt180 -114.65 116.8 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.15 135.07 51.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.873 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.449 HE21 ' CB ' ' A' ' 76' ' ' PRO . 2.9 tt0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.576 0.703 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -38.77 7.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD2' HG21 ' A' ' 101' ' ' VAL . 24.4 m-85 -148.86 174.81 11.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.474 HG23 ' HA ' ' A' ' 76' ' ' PRO . 11.8 m -145.35 117.31 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.86 HD21 HD11 ' A' ' 113' ' ' LEU . 19.4 tp -81.79 133.3 35.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.3 101.2 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.56 112.96 24.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.804 ' HB2' HD22 ' A' ' 39' ' ' LEU . 82.6 t80 -80.18 132.27 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.1 t80 -120.0 168.93 10.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.455 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 25.7 t30 -38.11 92.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' PHE . 19.6 mmtp 59.74 46.33 11.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 49.9 mtp85 -156.85 161.14 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.49 HG11 ' HG2' ' A' ' 36' ' ' GLU . 60.6 t -138.1 120.47 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -114.79 105.27 12.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -93.82 95.95 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.631 HD11 ' CD2' ' A' ' 115' ' ' LEU . 13.3 mt -87.75 124.32 67.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.474 ' HA ' HG23 ' A' ' 63' ' ' THR . 53.6 Cg_endo -69.75 121.11 7.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 77' ' ' VAL . 96.5 t -89.44 75.36 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -58.46 145.89 37.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -113.13 111.77 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 80' ' ' ILE . 3.7 mp -86.67 118.94 33.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 83' ' ' THR . 10.8 tm-20 -72.65 -53.39 11.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -32.35 -35.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 81' ' ' GLU . 18.5 p -127.43 0.3 6.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' ILE . 21.8 mmmt 51.15 37.81 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -111.07 179.18 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 51.7 m-85 -122.62 132.4 54.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.45 153.56 40.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.17 134.24 34.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.933 0.397 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 104' ' ' ILE . 10.0 m-85 -126.54 116.84 21.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -37.34 -37.58 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.556 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 3.2 m -149.24 170.21 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.953 0.406 . . . . 0.0 110.805 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.506 HG21 ' CD2' ' A' ' 62' ' ' TYR . 84.8 t -60.32 -56.25 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.8 t -40.76 -47.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.65 -46.12 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.576 ' HA ' ' CD2' ' A' ' 98' ' ' PHE . 66.4 mt -48.74 -41.6 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.46 HG13 HD13 ' A' ' 128' ' ' LEU . 95.6 t -74.53 -41.29 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 109' ' ' GLN . 43.1 m-20 -64.3 -67.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -40.58 -32.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 104' ' ' ILE . 5.2 m-70 -72.38 -39.27 68.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 106' ' ' ASN . 97.3 mt-30 -35.25 -34.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' HIS . 55.2 m-70 -100.33 -58.11 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -80.33 140.49 52.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 138.18 37.35 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.744 2.296 . . . . 0.0 112.321 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.86 HD11 HD21 ' A' ' 64' ' ' LEU . 2.4 tt -78.16 91.19 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.475 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.6 p -57.49 119.72 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.631 ' CD2' HD11 ' A' ' 75' ' ' ILE . 22.7 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 55.3 p -96.06 133.01 40.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.2 t -140.05 133.1 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 -78.64 144.29 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.814 HD22 ' CG ' ' A' ' 48' ' ' PHE . 93.0 mt -69.58 107.03 3.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -113.97 -39.16 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 2.2 m-85 -106.36 149.33 27.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -128.64 97.44 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 38' ' ' ALA . 96.7 t -100.73 105.03 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -98.5 131.54 44.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 34' ' ' SER . 4.1 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.76 0.314 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.76 -39.73 64.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -60.78 -44.85 96.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 20' ' ' LEU . 21.8 tt0 -42.8 -33.91 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.89 84.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -83.05 13.03 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 17' ' ' GLU . 35.3 mt -121.17 -32.11 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.676 HD23 ' HE2' ' A' ' 26' ' ' TYR . 86.1 mt -62.92 133.62 54.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.04 -32.96 6.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -50.04 139.95 17.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -21.56 33.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -92.18 -28.95 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.676 ' HE2' HD23 ' A' ' 21' ' ' LEU . 20.3 t80 -62.9 91.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.751 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -62.72 -22.68 66.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.07 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.486 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 79.83 -154.5 37.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.54 74.93 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -112.63 169.49 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.2 t0 -69.6 150.82 46.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 54.8 ttt-85 -60.99 -38.76 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -64.93 -51.69 60.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.434 ' C ' HG21 ' A' ' 134' ' ' VAL . 14.7 m -49.05 -52.54 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.78 -52.26 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.58 -49.55 77.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -54.68 -56.33 20.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.719 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -47.07 -26.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.705 HD22 ' HB2' ' A' ' 67' ' ' PHE . 24.8 mt -88.49 -51.84 5.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -55.7 -28.38 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -74.44 -39.84 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -58.42 -50.66 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 t30 65.65 44.47 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' ASP . 28.4 mtmm -133.85 83.84 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -36.74 126.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.38 -27.82 6.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 m -52.61 152.65 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.704 ' HB3' HD22 ' A' ' 128' ' ' LEU . 35.2 p90 -150.26 158.61 44.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.6 pp -160.81 133.99 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.509 HD13 ' HA ' ' A' ' 64' ' ' LEU . 22.1 mm -95.29 122.1 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -112.85 129.82 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -65.97 142.09 57.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.874 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.56 0.695 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.29 4.32 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -141.7 171.89 13.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.1 m -141.29 119.52 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 50' ' ' ILE . 27.7 tp -76.76 141.65 40.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.02 98.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.64 124.79 34.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.705 ' HB2' HD22 ' A' ' 39' ' ' LEU . 74.0 t80 -90.72 114.97 27.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.29 -176.01 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.416 ' O ' ' OD1' ' A' ' 69' ' ' ASN . 16.4 p30 -49.39 87.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 68' ' ' PHE . 23.9 mmmt 62.33 39.46 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.6 mtp85 -149.37 160.21 43.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.1 t -132.65 121.56 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -113.0 116.52 30.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -98.96 100.56 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.74 HD11 HD23 ' A' ' 115' ' ' LEU . 23.7 mt -96.55 126.8 42.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.84 12.62 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.416 ' O ' HG12 ' A' ' 77' ' ' VAL . 97.4 t -94.13 76.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -59.37 146.23 40.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 2.1 t80 -116.12 121.79 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -75.71 144.23 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -102.81 -52.11 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.1 -35.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.2 p -130.47 19.94 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 38.82 48.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.606 ' NE2' ' CG ' ' A' ' 97' ' ' TYR . 24.8 mt-30 -109.29 -174.81 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 72.0 m-85 -127.5 161.95 27.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -160.61 -175.54 5.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 89' ' ' GLY . 2.5 mp -129.79 173.22 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.606 ' CG ' ' NE2' ' A' ' 85' ' ' GLN . 56.4 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.878 0.371 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.583 ' CD1' HG12 ' A' ' 104' ' ' ILE . 12.7 m-85 -131.21 112.23 12.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -38.43 -34.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.551 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 3.1 m -148.62 177.4 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.896 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.8 t -67.48 -45.45 85.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.192 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.6 t -50.26 -46.29 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -53.14 -39.7 63.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.583 HG12 ' CD1' ' A' ' 98' ' ' PHE . 83.0 mt -54.13 -41.85 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.1 t -80.67 -49.09 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -52.72 -51.75 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.12 -44.14 89.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.4 OUTLIER -57.78 -41.62 82.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' HIS . 22.8 mt-30 -34.43 -45.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -93.49 -58.68 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -72.0 133.24 84.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.14 49.95 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.516 HD22 ' CD2' ' A' ' 108' ' ' HIS . 45.3 tp -107.4 86.22 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.442 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 6.0 p -39.06 141.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 75' ' ' ILE . 8.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.529 ' O ' HD12 ' A' ' 115' ' ' LEU . 26.6 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.442 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.2 p -93.03 134.86 34.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.7 t -144.96 146.16 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -93.19 141.36 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' A' ' 48' ' ' PHE . 61.9 mt -64.97 117.97 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -118.2 -42.04 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.471 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 12.1 m-85 -108.62 155.54 20.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.11 99.02 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.3 t -90.9 139.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -114.8 118.65 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.751 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.0 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.793 0.33 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -55.61 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -44.3 -43.23 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HA ' HD12 ' A' ' 20' ' ' LEU . 8.2 tt0 -48.68 -39.7 25.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.12 -42.52 63.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -92.3 20.85 5.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 17' ' ' GLU . 33.9 mt -125.5 -30.85 3.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.702 HD23 ' HE2' ' A' ' 26' ' ' TYR . 75.7 mt -63.46 126.93 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.57 -32.9 6.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -48.27 141.99 8.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.59 31.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -94.62 -27.51 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.702 ' HE2' HD23 ' A' ' 21' ' ' LEU . 34.1 t80 -65.35 95.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.34 -17.2 63.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.526 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 78.2 -151.45 36.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.22 46.21 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 p -70.03 -178.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' ARG . 1.9 m-20 -101.04 136.57 40.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' ASP . 65.6 ttt180 -36.34 -45.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -64.99 -62.76 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -49.21 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.19 -52.51 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.44 -43.3 96.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.59 -47.57 85.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.89 -28.55 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.67 HD22 ' CB ' ' A' ' 67' ' ' PHE . 30.6 mt -82.71 -56.24 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.569 ' CE1' HG23 ' A' ' 72' ' ' VAL . 39.7 m-70 -56.83 -33.32 66.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -70.95 -35.29 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -61.32 -49.14 78.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 66.06 42.39 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -129.55 83.72 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.92 130.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.92 -24.05 20.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.484 ' HB3' HG23 ' A' ' 132' ' ' VAL . 22.9 m -52.17 153.92 2.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 34.6 p90 -154.07 156.91 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.827 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.3 pp -160.09 135.34 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.2 mm -92.1 123.33 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -114.8 123.44 49.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -61.09 140.07 57.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.449 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.77 -44.65 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.376 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 14.2 m-85 -138.24 177.51 7.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 75' ' ' ILE . 95.3 m -147.39 138.15 23.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.2 tp -94.65 140.23 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 39' ' ' LEU . 60.0 t -127.31 98.86 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.04 115.32 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.67 ' CB ' HD22 ' A' ' 39' ' ' LEU . 50.9 t80 -83.56 114.95 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -101.29 177.65 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -44.21 90.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' PHE . 12.9 mmmt 59.98 40.28 19.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -146.85 167.24 24.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 40' ' ' HIS . 40.9 t -145.91 117.79 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -109.36 127.06 54.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -105.27 100.98 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.675 ' O ' HG23 ' A' ' 63' ' ' THR . 28.5 mt -100.66 124.99 40.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.643 0.735 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.19 17.14 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.568 HG12 ' HD2' ' A' ' 86' ' ' TYR . 58.0 t -100.24 78.58 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -62.71 164.65 7.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.402 ' HD2' ' CE1' ' A' ' 86' ' ' TYR . 31.8 t80 -131.97 119.82 21.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -93.21 122.52 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -76.54 -36.35 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -38.71 -38.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.4 p -131.26 5.89 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 55.79 39.17 30.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.506 HE21 ' N ' ' A' ' 99' ' ' GLY . 21.5 mt-30 -114.36 177.74 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.675 ' HB3' HD11 ' A' ' 104' ' ' ILE . 36.1 m-85 -115.95 152.59 33.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -139.29 148.69 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.088 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 88' ' ' LEU . 3.9 mm? -95.45 137.07 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.438 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 89.5 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.909 0.385 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 104' ' ' ILE . 71.9 m-85 -122.13 122.2 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.506 ' N ' HE21 ' A' ' 85' ' ' GLN . . . -35.56 -40.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.561 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 1.9 m -162.26 177.05 9.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.97 0.414 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.0 t -57.1 -43.95 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.24 -40.67 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -46.35 91.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.675 HD11 ' HB3' ' A' ' 86' ' ' TYR . 96.4 mt -48.76 -54.15 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.44 -54.87 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -45.9 -63.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -57.51 -36.94 72.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -61.74 -41.16 97.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 108' ' ' HIS . 97.5 mt-30 -35.85 -43.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -99.03 -40.86 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -86.63 128.68 55.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.04 52.88 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' VAL . 28.4 tp -104.8 88.65 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 88.8 t -33.77 119.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 3.6 p -48.02 146.28 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -152.06 143.15 23.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -90.52 132.12 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 27.7 mt -54.59 121.25 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -120.88 -41.58 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -108.91 152.9 24.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -126.09 94.15 4.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' A' ' 47' ' ' SER . 85.1 t -80.92 145.11 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -123.81 150.51 44.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.795 0.331 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.12 -47.83 17.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -60.42 -39.11 86.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.655 ' HA ' HD12 ' A' ' 20' ' ' LEU . 21.0 tt0 -51.89 -41.36 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.49 66.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -95.39 19.42 10.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 17' ' ' GLU . 26.1 mt -121.48 -32.86 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.455 HD23 ' CE2' ' A' ' 26' ' ' TYR . 84.5 mt -64.89 130.13 42.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.84 -35.77 4.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 56.1 mmtt -43.07 137.99 2.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.558 0.694 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -5.15 15.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.469 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 24.2 p-90 -111.06 -22.48 11.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.529 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 44.1 t80 -66.38 98.06 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.877 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.31 -20.17 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.529 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 72.62 -167.46 53.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.82 75.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 111.084 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.24 161.62 20.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -75.84 150.33 37.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -52.22 -42.94 63.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -51.41 -60.22 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.709 ' HB3' HG21 ' A' ' 134' ' ' VAL . 14.7 m -47.87 -50.4 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.39 75.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.471 ' HG2' HG11 ' A' ' 72' ' ' VAL . 35.3 mt-10 -65.97 -37.66 86.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -65.36 -58.05 6.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -25.43 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 67' ' ' PHE . 50.5 mt -84.85 -54.24 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.451 ' NE2' HG23 ' A' ' 72' ' ' VAL . 25.7 m-70 -56.69 -30.69 63.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.0 ptm180 -71.67 -31.8 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 9.9 t -64.19 -51.52 63.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 t30 67.09 39.91 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.562 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 29.3 mtmt -134.9 88.25 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.474 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -42.81 115.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 134.74 -22.12 3.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.9 m -60.56 147.23 42.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.727 ' HB3' HD22 ' A' ' 128' ' ' LEU . 34.5 p90 -143.14 159.77 41.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.877 HD13 ' HB2' ' A' ' 27' ' ' ALA . 1.3 pp -167.48 127.28 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.65 HD13 ' HA ' ' A' ' 64' ' ' LEU . 19.9 mm -90.19 133.03 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -118.59 124.78 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' SER . 20.0 ttmm -63.03 135.7 57.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' LYS . 54.6 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.57 0.7 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 53.8 Cg_endo -69.8 -36.25 11.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.518 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 22.0 m-85 -148.82 176.81 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.605 ' HA ' HG23 ' A' ' 77' ' ' VAL . 95.2 m -148.87 131.03 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.65 ' HA ' HD13 ' A' ' 50' ' ' ILE . 10.3 tp -91.73 131.02 37.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.8 t -118.03 103.1 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.46 115.65 28.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.573 ' CB ' HD22 ' A' ' 39' ' ' LEU . 37.1 t80 -83.58 133.21 34.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -121.07 166.81 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.474 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 11.1 t-20 -37.09 93.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' PHE . 4.6 mmmm 58.68 47.47 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 87.7 mtt-85 -155.47 171.48 19.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.471 HG11 ' HG2' ' A' ' 36' ' ' GLU . 60.2 t -150.06 119.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -113.84 118.98 35.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -100.33 97.89 8.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.83 HD11 HD23 ' A' ' 115' ' ' LEU . 22.8 mt -92.03 126.24 53.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.65 23.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' HA ' ' A' ' 63' ' ' THR . 47.7 t -103.29 79.8 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -69.11 145.63 53.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 50.8 t80 -110.67 126.75 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.556 HG12 ' CE2' ' A' ' 97' ' ' TYR . 5.3 mp -95.31 112.81 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' ALA . 26.6 tt0 -67.95 -39.08 83.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -36.3 -47.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' LYS . 22.7 p -132.81 31.68 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 9.3 mmpt? 36.76 44.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -106.68 175.37 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.58 ' HB3' HD11 ' A' ' 104' ' ' ILE . 50.6 m-85 -124.39 143.17 50.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.464 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -132.36 164.43 26.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.542 ' CD1' HG22 ' A' ' 77' ' ' VAL . 4.0 mm? -118.79 149.07 42.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.556 ' CE2' HG12 ' A' ' 80' ' ' ILE . 2.6 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.901 0.381 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CD1' HG12 ' A' ' 104' ' ' ILE . 14.7 m-85 -123.57 168.36 12.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.79 -37.85 66.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.569 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 2.5 m -155.25 174.91 14.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.424 HG23 ' CE2' ' A' ' 86' ' ' TYR . 91.7 t -59.7 -53.03 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.2 t -45.87 -46.57 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.64 -47.32 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.581 HG12 ' CD1' ' A' ' 98' ' ' PHE . 96.1 mt -46.5 -43.89 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 128' ' ' LEU . 94.2 t -77.72 -55.87 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -42.46 -54.23 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.26 -49.39 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -50.15 -40.51 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' HIS . 73.4 mt-30 -37.04 -42.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.43 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 72.7 m-70 -101.15 -43.64 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.441 ' C ' ' HG2' ' A' ' 127' ' ' ARG . 3.7 m-20 -81.09 134.32 52.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.15 44.34 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.536 ' CD2' HD21 ' A' ' 64' ' ' LEU . 41.4 tp -110.3 87.43 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 114' ' ' VAL . 2.1 t -42.41 146.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.83 HD23 HD11 ' A' ' 75' ' ' ILE . 3.5 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.808 0.337 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.413 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 24.4 p -112.28 146.32 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.831 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -148.27 146.76 28.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.441 ' HG2' ' C ' ' A' ' 111' ' ' ASN . 27.1 mtm180 -94.94 138.95 32.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.727 HD22 ' HB3' ' A' ' 48' ' ' PHE . 28.6 mt -58.56 117.53 4.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -117.27 -38.75 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.562 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 3.8 m-85 -111.11 150.95 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -123.85 98.59 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.054 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 87.2 t -103.25 119.28 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -112.38 136.02 52.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.709 HG21 ' HB3' ' A' ' 34' ' ' SER . 8.0 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.781 0.325 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -75.25 -64.62 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -50.54 -36.79 35.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.786 ' HA ' HD12 ' A' ' 20' ' ' LEU . 19.0 tt0 -50.41 -18.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.1 -25.19 61.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 2.6 pt-20 -98.16 10.89 39.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 17' ' ' GLU . 19.9 mt -115.49 -29.11 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.7 mt -69.26 123.85 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.34 -27.98 11.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 52.6 mmtt -56.26 137.21 74.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -17.67 37.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.554 ' HH2' HD23 ' A' ' 20' ' ' LEU . 30.6 p-90 -96.72 -14.07 22.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.529 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 26.4 t80 -77.04 93.95 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -65.72 -16.85 64.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.529 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 80.52 -124.52 6.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.78 38.81 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.425 ' SG ' HG13 ' A' ' 134' ' ' VAL . 10.0 m -80.03 157.65 26.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -61.69 151.33 34.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -62.6 -46.42 88.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -50.52 -58.19 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m -47.24 -46.59 24.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.55 -39.64 49.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -71.07 -39.35 72.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -66.2 -50.46 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.63 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -55.98 -33.47 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 67' ' ' PHE . 33.5 mt -80.62 -37.24 31.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -68.97 -32.42 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 42' ' ' SER . 4.0 ptt-85 -71.41 -30.04 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 23.3 t -61.03 -51.84 67.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t30 66.03 39.64 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.476 ' HD2' ' CE2' ' A' ' 130' ' ' TYR . 25.1 mtmt -132.0 87.5 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.39 105.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 141.37 -13.79 2.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -62.84 164.41 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 130' ' ' TYR . 30.7 p90 -164.75 154.55 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.7 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.5 pp -159.4 130.95 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.471 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 22.0 mm -91.13 113.02 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -104.46 140.14 38.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -80.94 137.02 36.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.923 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.589 0.709 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -43.28 2.74 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.303 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -140.44 172.63 12.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.0 m -141.75 131.38 24.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.55 HD21 HD11 ' A' ' 113' ' ' LEU . 9.4 tp -92.17 140.7 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.529 HG12 ' CD1' ' A' ' 39' ' ' LEU . 45.5 t -126.7 98.72 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.99 116.62 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.602 ' HB2' HD22 ' A' ' 39' ' ' LEU . 79.1 t80 -82.92 118.38 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CZ ' ' OD2' ' A' ' 124' ' ' ASP . 1.5 t80 -104.64 177.32 4.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.06 91.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 68' ' ' PHE . 4.9 mmmm 60.89 38.17 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -149.74 163.9 36.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -137.37 124.4 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -116.82 111.22 19.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.957 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -96.33 94.34 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.482 HD11 ' CD2' ' A' ' 115' ' ' LEU . 12.1 mt -90.72 131.68 37.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 135.18 29.77 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.353 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.3 t -107.6 78.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -66.53 156.33 35.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 61.1 t80 -122.09 115.76 23.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 80' ' ' ILE . 4.0 mp -89.47 88.03 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -47.41 -39.96 16.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.83 -34.64 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.8 p -123.18 4.23 9.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 36.1 mmtm 52.46 36.03 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -120.79 -178.05 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.535 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 4.5 m-85 -130.54 138.58 50.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.36 169.87 9.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.428 ' N ' HD22 ' A' ' 88' ' ' LEU . 3.8 mm? -105.95 138.72 41.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.87 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.472 ' CD1' HG12 ' A' ' 104' ' ' ILE . 89.1 m-85 -153.97 127.13 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -35.93 -52.74 1.19 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.535 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 m -151.83 -177.28 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 0.0 110.848 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.647 ' HB ' HD21 ' A' ' 20' ' ' LEU . 56.9 t -56.39 -58.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.7 t -46.69 -42.95 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.93 -41.96 79.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.472 HG12 ' CD1' ' A' ' 98' ' ' PHE . 81.5 mt -57.52 -34.55 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.479 HG13 HD13 ' A' ' 128' ' ' LEU . 85.4 t -82.43 -53.17 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -54.38 -31.17 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -74.52 -36.44 63.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.575 ' HB2' HD12 ' A' ' 128' ' ' LEU . 5.7 m-70 -73.48 -26.31 60.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -42.35 -39.28 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -100.18 -51.63 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -82.63 140.24 44.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.48 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 54.0 Cg_endo -69.7 142.05 47.16 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.738 2.292 . . . . 0.0 112.342 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.55 HD11 HD21 ' A' ' 64' ' ' LEU . 2.5 tt -91.05 90.19 7.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 124' ' ' ASP . 3.5 p -56.02 134.53 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 75' ' ' ILE . 7.3 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.545 ' OD2' ' CZ ' ' A' ' 68' ' ' PHE . 10.8 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.352 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.1 p -170.64 148.05 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 126' ' ' THR . 12.5 t -158.38 128.43 5.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 45.6 mtt180 -79.21 144.26 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.575 HD12 ' HB2' ' A' ' 108' ' ' HIS . 14.9 mt -71.56 126.25 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -130.35 -41.8 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 15.6 m-85 -102.07 154.63 18.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -132.54 95.66 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.3 t -87.31 135.77 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -113.13 113.08 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' A' ' 38' ' ' ALA . 3.6 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -54.92 -50.74 68.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -88.3 -46.5 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.88 153.62 41.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -173.71 158.24 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -39.83 147.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.95 159.54 29.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' PHE . 54.1 Cg_endo -69.79 2.83 3.2 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.641 2.227 . . . . 0.0 112.353 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' PRO . 39.7 t80 -34.53 -56.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -111.37 106.34 15.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 m -126.4 66.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.7 m -74.3 -60.03 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' ALA . 10.2 m-85 -47.54 -50.25 24.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -34.17 -54.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.75 -47.54 30.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' PHE . 11.1 mm-40 -58.17 -40.15 80.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.604 ' HA ' HD12 ' A' ' 20' ' ' LEU . 42.6 tt0 -52.24 -42.44 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.32 -37.19 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -96.29 24.64 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 17' ' ' GLU . 40.0 mt -130.15 -31.7 1.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.5 mt -63.25 127.1 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.33 -35.25 5.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 66.1 mmtt -44.12 136.87 3.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.54 12.22 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.307 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.564 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 23.8 p-90 -113.29 -21.9 10.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.532 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 43.4 t80 -67.26 98.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.987 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -66.47 -21.29 66.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.532 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 73.74 -155.15 49.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.86 43.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.55 149.55 24.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -49.04 144.66 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 20.3 ttp180 -58.43 -49.78 76.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -50.95 -49.72 59.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.806 ' HB3' HG21 ' A' ' 134' ' ' VAL . 45.2 m -52.73 -43.55 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.45 -43.81 68.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.583 ' HG2' HG11 ' A' ' 72' ' ' VAL . 46.5 mt-10 -69.31 -43.08 74.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.23 -56.79 16.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' O ' HG11 ' A' ' 132' ' ' VAL . . . -51.46 -26.61 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.699 HD22 ' HB2' ' A' ' 67' ' ' PHE . 46.5 mt -82.45 -51.98 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -55.98 -32.24 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 42' ' ' SER . 5.3 ptm180 -71.73 -30.0 65.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 46.9 t -64.51 -52.7 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.7 t30 63.66 41.05 7.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -134.79 87.13 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.476 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -42.57 108.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.78 -16.74 3.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.528 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.8 m -67.1 155.15 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 110.847 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' CD1' HD22 ' A' ' 128' ' ' LEU . 37.2 p90 -150.51 167.49 27.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.987 HD13 ' HB2' ' A' ' 27' ' ' ALA . 2.1 pp -172.19 126.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.402 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 6.4 mm -88.23 127.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.409 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 13.0 ptt180 -117.58 119.05 33.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -49.18 136.94 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.2 p -70.45 -176.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.8 167.42 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.92 134.99 19.58 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 73.18 41.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.61 148.43 24.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.7 t -127.62 -61.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -60.03 -34.54 73.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -122.78 86.59 50.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.641 0.734 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.471 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.2 Cg_endo -69.7 -48.15 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 35.7 m-85 -139.48 176.41 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 75' ' ' ILE . 55.4 m -145.77 127.23 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.6 tp -87.04 140.8 29.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 t -130.29 98.87 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.25 117.52 29.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.699 ' HB2' HD22 ' A' ' 39' ' ' LEU . 39.4 t80 -83.87 133.38 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.1 t80 -120.77 179.49 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.476 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 1.3 t30 -41.92 91.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' PHE . 25.0 mmtp 56.11 41.96 28.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 70' ' ' LYS . 20.6 mmt85 -146.28 165.47 29.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.583 HG11 ' HG2' ' A' ' 36' ' ' GLU . 34.7 t -142.42 119.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -118.02 112.93 20.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -104.1 97.28 7.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 63' ' ' THR . 8.5 mt -90.95 131.61 36.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 126.41 13.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.303 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -95.59 82.26 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.6 mtt85 -64.45 159.09 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.51 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 22.4 t80 -127.92 106.02 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.525 HD12 ' H ' ' A' ' 80' ' ' ILE . 5.1 mp -75.29 89.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.177 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 82' ' ' ALA . 24.7 tt0 -50.48 -41.11 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -33.98 -44.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.1 p -123.53 4.32 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 36.1 mmtt 60.65 35.67 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -106.43 178.71 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.412 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.2 m-85 -126.31 147.65 49.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -141.78 164.33 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.77 139.93 39.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 56.92 179.36 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -53.62 175.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -73.29 147.58 44.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -133.74 177.62 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -83.37 47.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.97 43.08 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -67.61 163.72 20.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.39 133.35 38.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -111.49 113.9 26.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.521 ' CD2' HG12 ' A' ' 104' ' ' ILE . 54.4 m-85 -102.85 169.82 8.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.32 -29.18 15.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -157.54 169.07 25.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.56 -47.03 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.09 -39.39 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.47 -41.86 90.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.521 HG12 ' CD2' ' A' ' 98' ' ' PHE . 77.1 mt -54.14 -35.05 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.419 HG13 HD13 ' A' ' 128' ' ' LEU . 96.9 t -83.31 -47.08 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -56.67 -52.29 65.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -63.9 -40.32 96.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.728 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -63.38 -43.38 97.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' HIS . 21.1 mt-30 -34.96 -41.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.975 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -102.02 -43.15 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -84.13 133.45 45.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.18 49.77 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.728 HD22 ' CD2' ' A' ' 108' ' ' HIS . 30.9 tp -113.39 92.83 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.487 HG12 HG12 ' A' ' 116' ' ' ILE . 85.8 t -48.4 126.43 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.24 84.54 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.558 HD11 ' HD3' ' A' ' 123' ' ' LYS . 51.5 mm -85.78 86.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 118' ' ' SER . 4.6 t70 -71.96 97.39 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' ASP . 81.0 p -34.53 -47.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -66.82 -58.38 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -100.39 90.93 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -60.9 85.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 63.6 p -134.9 104.46 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.558 ' HD3' HD11 ' A' ' 116' ' ' ILE . 2.8 tppp? -70.26 93.78 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -142.52 105.56 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 6.5 p -98.99 162.77 12.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.0 t -158.89 131.9 7.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -82.56 121.14 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 48' ' ' PHE . 59.5 mt -41.74 117.43 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -120.96 -40.67 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -107.44 158.8 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -132.67 97.17 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.535 HG11 ' O ' ' A' ' 38' ' ' ALA . 96.9 t -101.8 104.64 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -100.36 126.56 46.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.806 HG21 ' HB3' ' A' ' 34' ' ' SER . 8.5 p -75.57 153.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.3 t -158.19 130.33 6.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.3 t -85.4 -54.15 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 123.56 170.73 13.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -40.46 5.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.25 . . . . 0.0 112.355 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.2 t -63.77 107.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.2 t -90.54 111.88 23.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -137.34 137.79 39.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -66.72 -55.62 14.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.92 65.13 1.56 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 p -149.75 167.34 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -121.31 104.13 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.56 -119.35 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.53 51.3 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -66.34 169.94 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -103.9 159.23 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' THR . 88.6 p -86.77 -42.8 13.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' SER . 96.7 m -34.4 -49.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 61' ' ' PRO . 7.5 m-85 -79.01 -52.86 7.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.67 -48.91 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.07 -37.53 69.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' PHE . 24.9 mm-40 -66.65 -45.02 80.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 20' ' ' LEU . 32.9 tt0 -47.07 -45.03 21.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.83 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.9 18.47 5.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 17' ' ' GLU . 21.7 mt -123.2 -31.63 3.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 mt -61.48 125.89 25.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.54 -35.44 4.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -49.04 137.01 14.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.557 0.694 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.02 17.58 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.541 ' CZ3' HG13 ' A' ' 50' ' ' ILE . 37.9 p-90 -111.28 -30.21 7.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 18.7 t80 -62.03 97.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.895 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -69.43 -17.07 63.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 74.75 -153.44 45.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.17 42.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.75 150.27 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.77 144.92 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 31.0 ttt180 -58.94 -49.93 75.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -48.04 -53.7 15.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.695 ' HB3' HG21 ' A' ' 134' ' ' VAL . 3.1 m -50.03 -38.18 36.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 32' ' ' ARG . . . -59.6 -50.1 75.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.14 -36.26 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -69.79 -51.63 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -54.84 -24.72 24.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.568 HD22 ' CB ' ' A' ' 67' ' ' PHE . 39.8 mt -89.0 -48.92 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -60.5 -29.51 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 42' ' ' SER . 8.0 ptm180 -72.72 -40.79 65.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 8.9 t -55.91 -50.13 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 66.56 46.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -132.76 83.59 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.08 120.26 1.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.14 -18.35 8.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.7 m -58.54 155.98 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.39 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.632 ' HB3' HD22 ' A' ' 128' ' ' LEU . 34.1 p90 -151.61 153.7 34.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 27' ' ' ALA . 1.2 pp -159.93 135.65 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.775 HD13 ' HA ' ' A' ' 64' ' ' LEU . 23.5 mm -96.11 130.34 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.0 ptt85 -119.89 125.48 48.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -59.56 141.01 55.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.7 t -45.47 117.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.799 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -54.2 -42.02 69.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -96.76 160.64 21.78 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -76.47 94.98 3.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -129.08 177.43 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.1 t -124.25 -41.17 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -40.65 98.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -111.47 88.65 9.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.447 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.7 -45.11 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.508 ' CD2' HG21 ' A' ' 101' ' ' VAL . 20.5 m-85 -141.34 174.05 10.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.2 m -144.21 126.07 15.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.172 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.775 ' HA ' HD13 ' A' ' 50' ' ' ILE . 4.1 tp -85.12 131.99 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.427 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 46.3 t -119.36 102.13 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.82 121.17 30.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CB ' HD22 ' A' ' 39' ' ' LEU . 36.4 t80 -87.05 115.96 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -102.64 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.4 91.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' PHE . 72.0 mmtt 61.17 40.95 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 32.5 mtp180 -153.9 158.49 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.427 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 54.0 t -135.63 120.75 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -110.83 119.38 38.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.94 98.92 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.567 HD11 ' CD2' ' A' ' 115' ' ' LEU . 30.0 mt -94.38 121.52 63.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 127.73 15.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.568 HG22 HD13 ' A' ' 88' ' ' LEU . 99.2 t -98.62 85.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -74.97 153.34 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -117.71 123.92 47.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 mp -93.94 121.05 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' ALA . 34.5 tt0 -76.82 -35.94 57.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -37.24 -39.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.1 p -128.07 -3.38 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt 67.79 41.52 2.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -118.52 177.32 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.482 ' CB ' HD11 ' A' ' 104' ' ' ILE . 2.8 m-85 -121.52 158.11 29.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.668 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -145.46 176.48 9.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.668 HD22 ' C ' ' A' ' 87' ' ' ALA . 2.2 mm? -117.42 142.6 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.7 161.68 36.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.73 -12.66 28.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -105.62 152.29 23.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 95' ' ' GLU . 3.8 ttmm -69.34 -32.13 71.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' LYS . 14.9 t-20 -35.07 99.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.78 45.16 35.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 92' ' ' LYS . 16.9 pt-20 -72.55 127.12 31.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -112.42 135.52 53.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -105.01 123.09 47.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.592 ' CD2' HG12 ' A' ' 104' ' ' ILE . 85.7 m-85 -108.85 -75.14 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.12 -13.53 3.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 p -167.85 158.95 11.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' A' ' 104' ' ' ILE . 35.6 t -64.03 -43.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.53 -44.28 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -59.82 -42.08 92.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.592 HG12 ' CD2' ' A' ' 98' ' ' PHE . 63.2 mt -50.12 -41.68 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.537 HG13 ' CD1' ' A' ' 128' ' ' LEU . 94.9 t -81.01 -54.24 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.41 ' HA ' ' CD ' ' A' ' 109' ' ' GLN . 33.3 m-20 -44.96 -37.94 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.487 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 3.2 m -75.17 -39.49 60.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.74 -12.33 52.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.41 ' CD ' ' HA ' ' A' ' 106' ' ' ASN . 82.7 mt-30 -67.71 -33.67 75.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -107.85 20.25 19.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 107' ' ' SER . 4.4 p30 -156.9 143.47 13.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.735 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.484 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 54.4 Cg_endo -69.72 141.82 46.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.8 tp -98.05 101.73 13.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.45 135.39 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.567 ' CD2' HD11 ' A' ' 75' ' ' ILE . 26.1 mt -128.45 104.04 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 63.9 mt -112.6 86.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -115.24 36.03 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.2 m -145.73 152.92 40.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -84.53 47.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -143.69 178.6 7.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -92.53 70.03 4.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.4 p -134.9 113.16 11.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -107.08 88.01 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -86.95 85.33 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.2 p -88.64 141.76 28.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.8 t -145.36 134.54 22.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.484 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 45.1 mtm180 -77.98 152.15 33.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 48' ' ' PHE . 38.7 mt -81.76 111.74 18.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -110.7 -44.39 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.5 m-85 -103.96 150.47 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -130.26 98.5 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -99.89 119.01 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -107.08 132.05 53.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.808 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.2 p -82.99 150.18 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.181 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 43.9 t -153.16 138.05 17.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 137' ' ' GLY . 16.2 t -40.05 -45.91 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 136' ' ' SER . . . -32.86 96.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 136' ' ' SER . 53.3 Cg_endo -69.78 162.41 42.21 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.636 2.224 . . . . 0.0 112.353 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.9 m -105.05 81.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 59.5 p -148.14 138.03 22.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -98.61 -51.49 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -112.29 -60.13 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.43 149.92 19.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.544 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -91.68 93.61 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -152.92 175.73 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.74 -157.89 20.2 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 1.87 4.02 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.748 2.298 . . . . 0.0 112.329 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -96.79 140.21 31.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 43.34 49.31 5.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 t -93.35 42.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -88.91 -65.25 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 14' ' ' ALA . 9.8 m-85 -50.33 -42.8 53.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -33.93 -45.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -55.2 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -53.76 -38.44 64.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.717 ' HA ' HD12 ' A' ' 20' ' ' LEU . 33.5 tt0 -56.5 -40.67 75.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.25 -38.83 42.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.51 24.72 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' A' ' 17' ' ' GLU . 38.8 mt -128.75 -31.31 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.61 HD23 ' CE2' ' A' ' 26' ' ' TYR . 55.3 mt -63.56 128.69 36.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.37 -34.65 5.58 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 40.7 mmtt -43.3 137.85 2.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.53 0.681 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -4.08 13.31 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.434 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 27.5 p-90 -114.71 -20.45 10.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.61 ' CE2' HD23 ' A' ' 21' ' ' LEU . 27.6 t80 -69.45 93.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.728 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -66.09 -22.03 66.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.525 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 81.32 -144.94 24.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.38 42.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' CB ' HG11 ' A' ' 134' ' ' VAL . 14.6 p -67.9 -177.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.836 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.55 156.19 16.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.86 -39.98 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -72.32 -59.73 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.554 ' HB3' HG21 ' A' ' 134' ' ' VAL . 4.0 m -41.03 -43.5 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.24 -52.89 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.61 -46.36 90.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 39' ' ' LEU . 31.4 mm-40 -55.69 -66.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -41.13 -26.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.425 HD22 ' HB2' ' A' ' 67' ' ' PHE . 71.6 mt -84.37 -54.89 4.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -56.21 -30.02 61.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 42' ' ' SER . 9.1 ptm180 -72.72 -32.05 65.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 22.9 t -64.46 -49.03 73.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 64.83 45.17 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.57 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 37.5 mtpt -134.83 81.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -35.74 126.05 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.54 -25.72 7.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 m -51.42 156.89 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 24.1 p90 -157.81 161.86 38.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.4 pp -166.61 139.01 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.434 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 11.6 mm -95.13 120.86 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -112.09 123.59 50.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' SER . 49.5 tttm -62.26 140.22 58.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' LYS . 30.5 t -35.89 151.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.3 p -81.43 44.02 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.46 -146.99 15.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -106.63 115.18 29.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -143.6 176.71 9.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t -129.94 -43.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -69.99 -32.35 70.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -120.79 84.95 38.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -42.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.731 2.287 . . . . 0.0 112.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -144.36 178.69 7.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 75' ' ' ILE . 89.9 m -151.0 126.95 10.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 113' ' ' LEU . 24.3 tp -85.75 137.9 32.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.49 HG13 ' OD1' ' A' ' 74' ' ' ASN . 8.4 t -123.48 100.24 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.59 119.83 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.425 ' HB2' HD22 ' A' ' 39' ' ' LEU . 43.1 t80 -85.8 118.19 25.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -104.13 176.05 5.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -46.51 89.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' PHE . 1.4 mmmp? 63.93 38.3 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 27.7 mtp180 -151.92 160.89 43.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.46 HG13 HG12 ' A' ' 65' ' ' VAL . 61.7 t -136.19 122.56 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.443 ' CD1' HD13 ' A' ' 115' ' ' LEU . 16.2 m-85 -111.76 115.74 29.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.49 ' OD1' HG13 ' A' ' 65' ' ' VAL . 2.2 m-80 -99.67 103.0 14.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 63' ' ' THR . 21.0 mt -99.26 122.56 51.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 111.089 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 118.44 5.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -88.58 80.44 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -59.11 163.27 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -131.71 111.34 11.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.61 90.21 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -51.65 -34.12 36.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.44 -38.25 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.9 p -124.71 6.57 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 54.33 29.2 10.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -104.52 -179.38 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 87.0 m-85 -128.05 146.13 50.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -135.43 160.89 37.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.1 136.92 41.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.47 -140.98 47.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -103.91 178.2 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -47.42 143.2 3.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -147.12 129.49 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -40.94 97.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.95 54.8 6.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' CD ' ' C ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -73.49 162.89 28.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -100.45 127.06 46.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -92.14 167.61 11.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.579 ' CD1' HG12 ' A' ' 104' ' ' ILE . 63.4 m-85 -144.53 114.74 7.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.31 -40.2 0.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.45 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 m -149.36 -179.78 7.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.9 t -70.56 -48.16 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.168 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 66.1 t -47.58 -44.92 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -55.68 -46.64 77.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.579 HG12 ' CD1' ' A' ' 98' ' ' PHE . 74.2 mt -47.16 -38.84 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.434 HG13 ' CD1' ' A' ' 128' ' ' LEU . 94.7 t -81.58 -45.69 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -54.5 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -55.25 -44.47 75.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.607 ' CD2' HD12 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -52.22 -44.48 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 108' ' ' HIS . 68.2 mt-30 -31.18 -43.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -90.54 -46.02 8.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -91.61 124.51 60.57 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.639 0.733 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.33 47.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.607 HD12 ' CD2' ' A' ' 108' ' ' HIS . 3.4 tt -91.53 85.91 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 123' ' ' LYS . 10.4 p -42.01 124.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 75' ' ' ILE . 34.5 mt -106.92 126.94 52.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.459 HD11 HG22 ' A' ' 114' ' ' VAL . 4.9 mp -126.65 116.32 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -95.32 114.59 26.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.14 46.17 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 41.53 36.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -87.8 149.3 24.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -40.9 -38.98 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 36.2 p -48.01 101.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.716 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -108.54 17.02 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 123' ' ' LYS . 16.9 m-20 -33.95 104.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.481 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 86.4 p -100.15 149.94 23.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.6 t -143.81 147.86 34.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -102.86 129.76 49.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.566 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 24.4 mt -53.42 104.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -109.21 -45.88 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.57 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.4 m-85 -103.09 149.71 24.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -122.16 93.82 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.99 104.67 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -98.96 127.73 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.728 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.0 p -80.45 153.09 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.0 p -158.93 128.27 5.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.8 t -150.05 112.05 4.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 154.78 154.65 6.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.431 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -1.69 8.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.246 . . . . 0.0 112.311 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.8 m -136.37 143.62 44.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 39.9 t -38.42 141.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.503 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -63.51 -48.09 79.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.822 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -73.25 165.69 24.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.5 134.53 4.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -118.81 147.02 44.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.8 p -94.4 154.54 17.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.45 93.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -20.02 35.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -121.84 163.41 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -41.78 161.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.1 m -43.6 158.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.1 m -123.17 -60.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -76.71 -50.84 12.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.01 -43.71 1.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -43.63 98.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -58.95 -37.11 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.796 ' HA ' HD12 ' A' ' 20' ' ' LEU . 26.2 tt0 -56.5 -38.62 72.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.32 -34.1 45.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.056 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.72 23.87 9.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 17' ' ' GLU . 22.4 mt -126.34 -30.19 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.6 mt -65.77 125.4 25.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.41 -34.68 5.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 41.6 mmtt -45.24 137.14 5.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.552 0.691 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -6.64 19.09 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.48 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 19.6 p-90 -108.46 -28.48 9.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 28.9 t80 -61.04 97.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.954 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -67.77 -17.15 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 79.69 -138.63 20.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.85 37.29 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.177 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.435 ' CB ' HG11 ' A' ' 134' ' ' VAL . 22.1 p -63.12 174.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -93.26 166.1 12.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -60.66 -35.01 75.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -75.15 -66.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.631 ' HB3' HG21 ' A' ' 134' ' ' VAL . 24.2 m -38.46 -38.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.67 -49.15 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.067 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.97 -42.58 89.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.86 -60.2 4.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.92 -26.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.733 HD22 ' HB2' ' A' ' 67' ' ' PHE . 21.4 mt -85.14 -55.41 4.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.427 ' NE2' HG23 ' A' ' 72' ' ' VAL . 22.8 m-70 -56.28 -29.88 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -74.85 -36.7 62.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.1 t -58.14 -47.99 81.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 63.4 42.55 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.457 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 33.8 mtmt -134.31 82.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -35.49 132.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.9 -21.4 20.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.1 m -56.42 156.53 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.657 ' CG ' HD22 ' A' ' 128' ' ' LEU . 19.2 p90 -157.02 162.28 39.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 49' ' ' LEU . 4.0 pp -168.4 127.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mm -83.94 124.62 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HD3' HG21 ' A' ' 65' ' ' VAL . 29.6 ptt85 -116.51 121.76 42.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.36 146.67 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.7 p -45.0 165.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 p -101.28 85.11 2.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.45 -135.99 9.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -126.66 103.7 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.35 173.0 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -126.28 -42.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -52.9 -45.91 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -118.55 91.61 42.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -47.66 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -139.53 173.01 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.8 m -144.67 137.36 26.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.442 ' CD2' ' CD2' ' A' ' 113' ' ' LEU . 9.5 tp -92.52 145.98 24.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.431 HG21 ' HD3' ' A' ' 51' ' ' ARG . 26.4 t -134.17 96.2 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.45 118.64 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.733 ' HB2' HD22 ' A' ' 39' ' ' LEU . 57.3 t80 -84.02 114.73 21.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 124' ' ' ASP . 1.5 t80 -102.28 -179.82 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -47.02 91.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' PHE . 40.5 mmtt 58.45 33.97 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -144.15 156.88 44.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.427 HG23 ' NE2' ' A' ' 40' ' ' HIS . 49.0 t -133.81 120.87 38.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -112.08 117.05 31.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.33 102.16 13.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 63' ' ' THR . 33.5 mt -96.72 122.15 57.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 129.07 16.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.649 HG22 ' CD1' ' A' ' 88' ' ' LEU . 47.8 t -101.5 86.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -74.67 154.07 38.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -119.06 129.59 55.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.457 HG12 ' CE2' ' A' ' 97' ' ' TYR . 5.0 mp -103.23 114.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 82' ' ' ALA . 28.9 tt0 -66.0 -43.31 88.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.35 -56.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.6 p -110.71 8.1 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt 50.61 45.37 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -119.95 173.4 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 8.8 m-85 -118.96 146.06 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.503 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . . . -131.89 164.84 25.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.649 ' CD1' HG22 ' A' ' 77' ' ' VAL . 3.0 mm? -112.52 139.03 48.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 85.64 -177.03 49.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.8 pttm -111.19 -20.69 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.353 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -106.65 132.16 52.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 95' ' ' GLU . 1.9 mtmp? -51.21 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 92' ' ' LYS . 44.8 t-20 37.89 38.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.39 16.39 34.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 92' ' ' LYS . 13.3 mt-10 -45.8 131.23 9.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -97.63 126.32 42.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 5.2 m-30 -99.72 109.73 22.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CD1' HG12 ' A' ' 104' ' ' ILE . 3.1 m-85 -97.16 158.73 15.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.26 59.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.574 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 3.2 m -163.8 -178.77 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 110.876 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 87.1 t -59.52 -53.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.1 t -42.75 -43.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.46 -43.96 92.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.588 HG12 ' CD1' ' A' ' 98' ' ' PHE . 67.6 mt -50.48 -49.63 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.549 HG13 HD13 ' A' ' 128' ' ' LEU . 96.3 t -74.12 -59.32 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -39.81 -58.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -60.03 -42.54 94.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.515 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -57.64 -37.0 72.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -41.14 -42.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -100.08 -47.62 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' C ' ' HG2' ' A' ' 127' ' ' ARG . 36.0 m-80 -77.52 137.51 63.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 145.08 56.23 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.515 HD22 ' CD2' ' A' ' 108' ' ' HIS . 42.4 tp -110.78 80.88 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 123' ' ' LYS . 8.6 p -42.48 131.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.564 HD23 HD11 ' A' ' 75' ' ' ILE . 9.5 mt -113.14 122.77 48.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 123' ' ' LYS . 32.4 mm -115.94 95.32 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' SER . 27.2 t0 -103.28 37.83 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' ASP . 18.2 m 35.3 49.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -121.05 106.92 12.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.5 m120 47.66 28.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 49.68 44.46 24.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.8 p -110.47 113.0 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 116' ' ' ILE . 8.4 pttt -97.48 106.75 19.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 11.5 m-20 -103.32 88.73 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.452 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.1 p -77.58 139.31 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.2 t -145.46 142.11 28.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.435 ' HG2' ' C ' ' A' ' 111' ' ' ASN . 23.3 mtm180 -93.56 133.82 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.657 HD22 ' CG ' ' A' ' 48' ' ' PHE . 27.1 mt -55.71 116.71 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -117.73 -39.68 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.457 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 29.0 m-85 -107.66 150.05 27.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.63 98.77 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 78.7 t -102.25 104.93 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -98.83 119.5 37.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.631 HG21 ' HB3' ' A' ' 34' ' ' SER . 3.2 p -76.17 172.06 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.626 ' H ' HG22 ' A' ' 134' ' ' VAL . 3.2 t -153.54 114.06 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.1 p -174.19 176.83 2.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -173.42 79.32 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 158.22 57.77 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.9 t -155.5 148.44 24.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 25.5 p -113.35 112.9 24.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -75.07 107.53 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 p -42.73 -55.94 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.49 79.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 t -41.61 156.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t 46.37 42.55 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.13 144.38 15.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -11.02 30.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -59.52 -53.81 53.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -157.99 148.33 20.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 m -121.72 102.61 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.9 m -84.88 -48.12 9.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -97.68 -48.15 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.06 -43.89 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -54.63 41.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -45.81 -40.25 9.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.4 tp10 -50.63 -39.6 50.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.05 -40.64 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -94.92 24.38 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' A' ' 17' ' ' GLU . 21.5 mt -126.13 -31.62 2.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.1 134.72 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.03 -36.0 4.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.51 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 47.2 mmtt -44.93 134.7 5.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -4.66 14.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.51 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 20.3 p-90 -110.97 -21.52 11.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 33.1 t80 -67.45 95.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.7 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -64.73 -22.34 66.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.524 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 81.88 -152.94 32.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.13 47.07 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.56 169.62 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.48 150.77 38.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -59.67 -44.57 93.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -54.8 -57.75 10.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 m -50.33 -45.99 55.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -45.88 62.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -65.76 -44.73 84.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.73 -46.55 84.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.532 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -56.76 -29.95 63.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 67' ' ' PHE . 53.0 mt -83.02 -54.14 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -55.77 -30.24 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' HG3' ' N ' ' A' ' 42' ' ' SER . 5.1 ptm180 -73.29 -30.38 63.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.481 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 27.4 t -67.95 -49.42 61.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 65.42 46.43 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 45' ' ' ASP . 16.8 mtpp -134.71 82.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -35.91 129.42 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.77 -29.5 7.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.1 m -46.92 152.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.374 . . . . 0.0 110.871 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.62 ' HB3' HD22 ' A' ' 128' ' ' LEU . 33.9 p90 -149.73 158.52 44.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 27' ' ' ALA . 2.9 pp -163.43 142.76 8.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.459 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 17.4 mm -103.17 131.11 52.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -118.43 123.1 44.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.15 137.92 57.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 p -42.3 156.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.4 p -100.46 -43.77 6.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.74 -171.95 42.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -97.89 43.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.339 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.01 168.26 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.2 t -123.59 -47.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -40.97 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -115.9 92.84 36.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -49.18 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.378 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -134.97 173.92 11.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.8 m -144.82 132.99 21.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.433 ' HA ' HD13 ' A' ' 50' ' ' ILE . 56.0 tp -92.19 148.2 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 32.8 t -134.48 95.48 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.13 125.0 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.083 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.546 ' HB2' HD22 ' A' ' 39' ' ' LEU . 78.4 t80 -91.03 116.15 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -103.02 -177.32 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 34.4 p-10 -44.92 89.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 68' ' ' PHE . 28.7 mmtp 58.52 37.75 25.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -147.45 159.94 43.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 58.2 t -131.24 123.71 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -115.04 109.75 18.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -96.3 101.06 12.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.754 HD12 HD21 ' A' ' 113' ' ' LEU . 32.0 mt -95.01 131.65 29.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 111.1 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 126.04 12.82 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -96.52 85.8 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -62.91 158.65 18.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -118.71 129.83 55.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.4 mm -99.73 75.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' ALA . 13.3 tt0 -43.36 -46.95 6.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -36.5 -46.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 p -124.73 19.91 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt 47.06 39.78 8.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.448 ' CD ' ' HB3' ' A' ' 97' ' ' TYR . 28.1 mt-30 -106.83 -174.04 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.692 ' CB ' HD11 ' A' ' 104' ' ' ILE . 85.5 m-85 -136.48 149.29 48.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.715 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -126.12 178.22 5.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.715 HD22 ' C ' ' A' ' 87' ' ' ALA . 3.8 mm? -126.53 139.1 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.449 ' H ' HG22 ' A' ' 75' ' ' ILE . . . 78.94 177.1 49.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.31 36.61 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.9 tttm -148.11 165.6 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -87.13 -22.27 25.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -45.08 99.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.39 35.69 69.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.28 126.92 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 98' ' ' PHE . 2.9 tp10 -117.8 131.63 56.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.448 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 18.8 m-85 -95.55 122.51 38.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 96' ' ' GLU . 80.4 m-85 -112.29 124.9 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -36.24 -43.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -155.81 170.85 21.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.463 HG23 ' CZ ' ' A' ' 86' ' ' TYR . 93.2 t -55.33 -49.87 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.3 t -53.06 -38.96 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.65 -40.27 91.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.692 HD11 ' CB ' ' A' ' 86' ' ' TYR . 86.2 mt -54.94 -41.07 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.2 t -76.48 -47.72 29.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -56.71 -39.54 74.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.5 t -67.84 -53.84 23.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.462 ' O ' ' C ' ' A' ' 109' ' ' GLN . 5.3 m-70 -49.88 -37.49 31.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' HIS . 64.1 mt-30 -32.79 -41.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.408 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 36.6 m-70 -93.53 -51.89 4.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -91.85 132.45 32.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.451 ' HB2' ' N ' ' A' ' 126' ' ' THR . 53.9 Cg_endo -69.72 138.45 37.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.733 2.288 . . . . 0.0 112.319 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.754 HD21 HD12 ' A' ' 75' ' ' ILE . 35.4 tp -78.09 87.01 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.468 HG23 ' HB3' ' A' ' 123' ' ' LYS . 7.1 p -39.86 141.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 114' ' ' VAL . 6.4 mt -136.6 128.09 28.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 5.4 mp -126.32 85.4 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -102.19 33.57 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 91.9 p -171.51 136.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.78 44.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.71 ' O ' HG23 ' A' ' 122' ' ' THR . 80.3 m-20 -111.58 38.04 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 39.59 40.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 120' ' ' ASN . 25.4 p -120.53 127.41 52.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.468 ' HB3' HG23 ' A' ' 114' ' ' VAL . 16.8 mtmm -119.09 102.44 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.22 94.53 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.462 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 52.5 p -98.0 141.44 30.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.451 ' N ' ' HB2' ' A' ' 112' ' ' PRO . 4.5 t -144.46 139.8 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.408 ' CD ' ' O ' ' A' ' 110' ' ' HIS . 39.7 mtm180 -84.02 138.66 32.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 48' ' ' PHE . 46.2 mt -65.97 104.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -104.39 -45.86 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -104.31 146.62 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -125.9 94.65 4.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 93.7 t -96.75 128.75 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -112.23 137.07 50.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.7 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.8 p -87.9 150.95 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.5 t -154.11 144.09 21.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.9 t -77.58 -70.11 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 100.32 -114.31 4.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 122.04 8.72 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.659 2.239 . . . . 0.0 112.386 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 83.9 p -76.4 163.67 26.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.5 t -114.33 -48.25 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.54 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m 55.46 45.75 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.894 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 p -138.58 145.91 41.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.85 153.89 9.34 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 p -96.03 162.96 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.7 p -138.97 170.99 14.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.76 158.94 30.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -172.5 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.281 . . . . 0.0 112.312 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -109.17 42.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -157.95 142.49 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -102.67 73.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.578 ' HB ' ' CE1' ' A' ' 13' ' ' PHE . 64.9 p -129.99 134.89 47.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 0.3 OUTLIER 40.0 24.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -92.45 -38.43 11.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.54 -42.69 74.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -53.71 -40.48 66.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.927 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.4 tm-20 -54.77 -36.75 65.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.63 69.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -95.44 28.8 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.927 HD12 ' HA ' ' A' ' 17' ' ' GLU . 22.2 mt -129.43 -29.51 2.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.644 HD11 ' OE2' ' A' ' 17' ' ' GLU . 77.5 mt -62.86 136.66 57.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.51 -36.25 4.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 66.2 mmtt -45.85 135.42 6.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -4.63 14.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.525 ' CE2' ' HB3' ' A' ' 23' ' ' LYS . 19.5 p-90 -111.08 -24.49 10.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 21' ' ' LEU . 22.7 t80 -64.49 92.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.672 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -64.25 -20.59 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.506 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 80.23 -161.84 45.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.37 44.13 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.724 0.297 . . . . 0.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.79 174.84 9.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.83 162.53 23.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HG3' ' NH1' ' A' ' 51' ' ' ARG . 23.8 ttp180 -70.25 -42.37 72.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -54.09 -55.42 27.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.591 ' CB ' HG21 ' A' ' 134' ' ' VAL . 7.8 m -56.13 -40.92 74.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.567 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -60.25 -39.52 87.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -74.05 -41.37 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.2 -51.45 66.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.95 -26.93 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' A' ' 67' ' ' PHE . 51.1 mt -83.68 -52.62 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -57.42 -31.48 65.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.0 ptm180 -71.44 -31.91 67.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 10.5 t -65.67 -43.4 89.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.4 t30 58.78 45.63 15.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.485 ' HD2' ' CE2' ' A' ' 130' ' ' TYR . 27.8 mtmt -134.8 81.11 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -36.3 126.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.46 -20.89 10.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -57.37 151.68 15.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 128' ' ' LEU . 33.7 p90 -151.01 153.14 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.672 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.5 pp -156.88 133.48 10.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.49 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 9.0 mm -94.13 120.9 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.43 ' HD3' HG21 ' A' ' 65' ' ' VAL . 18.7 ptt180 -111.09 127.01 55.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -63.92 140.97 58.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.9 t -41.62 118.41 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.9 p -127.04 90.56 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 151.0 -120.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -126.17 105.71 9.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -137.27 175.87 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -132.23 -56.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -118.47 43.8 2.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.472 ' NE2' ' HB3' ' A' ' 76' ' ' PRO . 3.9 tt0 -131.96 96.89 19.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.537 ' HB2' ' CD1' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.71 -44.38 2.14 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.537 ' CD1' ' HB2' ' A' ' 61' ' ' PRO . 28.2 m-85 -145.54 174.91 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.414 HG23 ' HA ' ' A' ' 76' ' ' PRO . 25.0 m -142.13 121.33 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.606 HD21 HD11 ' A' ' 113' ' ' LEU . 43.4 tp -79.97 145.7 32.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.886 HG13 HD22 ' A' ' 74' ' ' ASN . 15.4 t -133.53 96.94 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.64 120.51 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.037 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.46 ' HB2' HD22 ' A' ' 39' ' ' LEU . 44.7 t80 -87.02 118.52 26.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.3 t80 -105.06 -178.23 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -49.34 87.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' PHE . 22.8 mmmt 63.52 39.09 9.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -150.52 157.71 43.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.454 HG13 HG12 ' A' ' 65' ' ' VAL . 61.3 t -134.16 117.88 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -108.06 117.29 33.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.886 HD22 HG13 ' A' ' 65' ' ' VAL . 1.6 m120 -96.79 101.81 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.1 mt -100.82 122.11 50.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.472 ' HB3' ' NE2' ' A' ' 60' ' ' GLN . 54.2 Cg_endo -69.73 130.55 19.57 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 77' ' ' VAL . 89.8 t -96.31 76.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 ttm-85 -56.13 158.73 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -122.73 102.19 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mp -78.37 93.27 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 82' ' ' ALA . 17.9 tt0 -57.55 -37.57 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -35.35 -39.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 p -129.38 2.02 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 63.94 40.05 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -119.36 174.21 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.527 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 9.7 m-85 -122.06 144.39 48.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -138.36 150.56 46.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.434 HD21 ' CG2' ' A' ' 104' ' ' ILE . 4.0 mm? -81.35 141.25 34.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.23 166.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -51.83 -178.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -64.76 122.07 16.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -115.95 166.21 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -54.68 -55.71 26.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -120.15 64.35 0.46 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.548 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.46 170.5 13.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.813 0.34 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -122.7 136.07 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -101.63 139.78 36.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' A' ' 104' ' ' ILE . 59.2 m-85 -117.19 -46.21 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.13 -35.76 3.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.527 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 1.9 m -161.95 159.48 26.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.837 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 62' ' ' TYR . 91.2 t -52.31 -48.81 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.0 t -52.27 -46.82 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -55.07 -56.46 19.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.578 HG12 ' CD1' ' A' ' 98' ' ' PHE . 97.0 mt -41.93 -36.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.33 -48.44 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -54.37 -41.84 69.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 m -68.74 -45.68 70.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.419 ' NE2' ' HG ' ' A' ' 113' ' ' LEU . 5.2 m-70 -57.9 -37.38 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 108' ' ' HIS . 80.4 mt-30 -37.15 -36.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -104.39 -48.36 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' HIS . 80.8 m-20 -84.16 140.08 39.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HA ' ' CG ' ' A' ' 127' ' ' ARG . 53.9 Cg_endo -69.84 139.18 39.32 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.643 2.228 . . . . 0.0 112.341 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.606 HD11 HD21 ' A' ' 64' ' ' LEU . 2.5 tt -83.77 93.27 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 114' ' ' VAL . 7.9 p -59.27 119.06 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.408 ' CD2' HD22 ' A' ' 113' ' ' LEU . 27.8 mt -110.24 112.16 23.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.92 95.12 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 118' ' ' SER . 28.6 t70 -73.77 85.66 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 117' ' ' ASP . 75.7 m -34.14 -45.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 118' ' ' SER . 5.0 tp60 -36.76 -51.51 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -130.46 163.16 27.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -81.23 59.36 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.2 p -136.83 110.44 8.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -98.33 102.17 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.29 114.98 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 59.9 p -98.85 136.87 38.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.3 t -146.17 129.06 16.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.409 ' CG ' ' HA ' ' A' ' 112' ' ' PRO . 80.5 mtt180 -74.83 151.24 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 48' ' ' PHE . 51.4 mt -79.53 109.59 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -108.15 -44.71 4.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.485 ' CE2' ' HD2' ' A' ' 44' ' ' LYS . 11.6 m-85 -103.85 152.13 22.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.431 ' HB1' ' HB3' ' A' ' 25' ' ' TRP . . . -132.06 92.52 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 67.2 t -88.48 135.21 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 135' ' ' SER . 27.3 ttpt -120.52 98.56 6.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.599 HG12 ' HB1' ' A' ' 27' ' ' ALA . 14.9 p -38.41 -30.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 133' ' ' LYS . 30.8 m -72.02 91.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.5 t -82.7 89.28 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 77.39 -174.48 54.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.24 15.73 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 m -97.61 124.54 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 33.0 t -72.12 131.62 43.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -41.85 -47.32 4.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.841 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m 52.38 45.37 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.99 -131.46 10.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t 66.98 41.92 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 p -144.82 172.04 13.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.67 159.31 22.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 173.16 11.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -91.15 160.97 15.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -106.92 125.83 51.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.439 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 93.4 p -69.21 -36.88 77.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' SER . 91.3 m -35.64 -54.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 14' ' ' ALA . 8.7 m-85 -82.39 -45.68 14.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 11' ' ' SER . . . -34.16 -55.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.17 -46.95 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 13' ' ' PHE . 21.0 mm100 -59.52 -46.51 88.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.914 ' HA ' HD12 ' A' ' 20' ' ' LEU . 27.6 tt0 -44.05 -40.13 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.37 -44.28 54.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -84.76 22.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 17' ' ' GLU . 23.2 mt -128.23 -30.2 2.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.613 HD23 ' HE2' ' A' ' 26' ' ' TYR . 18.9 mt -61.64 130.69 47.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.73 -38.68 3.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 59.8 mmtt -44.32 138.22 3.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.508 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 20.3 p-90 -109.43 -23.45 11.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.613 ' HE2' HD23 ' A' ' 21' ' ' LEU . 30.0 t80 -66.43 96.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.636 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -65.94 -21.13 66.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.082 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.516 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 88.48 -138.75 15.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.15 39.28 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.0 t -81.94 165.71 20.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.31 171.97 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -74.23 -31.42 62.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -64.12 -62.74 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.689 ' HB3' HG21 ' A' ' 134' ' ' VAL . 33.0 m -48.52 -41.76 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -55.57 -51.05 68.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -64.42 -39.41 93.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -57.76 -60.8 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' HG11 ' A' ' 132' ' ' VAL . . . -47.51 -25.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.748 HD22 ' CB ' ' A' ' 67' ' ' PHE . 14.9 mt -84.04 -54.23 4.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.486 ' NE2' HG23 ' A' ' 72' ' ' VAL . 27.9 m-70 -58.04 -31.13 66.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 42' ' ' SER . 10.6 ptm180 -72.82 -35.22 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 13.1 t -63.25 -46.37 87.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 62.68 45.78 5.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.54 ' HE3' ' CE2' ' A' ' 130' ' ' TYR . 21.1 mtpp -133.9 83.76 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -37.8 116.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.43 -24.01 4.75 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.429 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 27.5 m -54.84 153.89 5.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.531 ' CG ' HD22 ' A' ' 128' ' ' LEU . 30.7 p90 -155.56 153.12 29.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.9 pp -154.66 137.15 15.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.42 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 3.8 mm -96.63 118.35 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -105.18 126.63 52.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 26.2 tttp -78.88 136.0 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.2 t -103.57 145.43 30.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -130.2 156.79 44.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.73 -177.79 23.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -98.08 45.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.56 -59.65 2.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.9 p -170.99 -175.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -77.44 42.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 7.0 tt0 -110.38 93.3 15.62 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.564 0.697 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 60' ' ' GLN . 53.7 Cg_endo -69.74 -37.7 8.86 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.724 2.282 . . . . 0.0 112.335 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.437 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 19.9 m-85 -144.47 166.11 26.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 75' ' ' ILE . 86.9 m -142.6 126.53 17.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 48' ' ' PHE . 12.3 tp -88.41 138.25 31.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 39' ' ' LEU . 57.4 t -124.48 98.02 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.23 117.4 25.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.748 ' CB ' HD22 ' A' ' 39' ' ' LEU . 45.5 t80 -83.31 118.84 23.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -105.96 -178.74 3.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -46.96 92.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' PHE . 7.4 mmmm 58.6 33.36 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -142.34 164.3 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.486 HG23 ' NE2' ' A' ' 40' ' ' HIS . 46.6 t -140.85 121.56 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -114.68 114.01 25.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 0.2 OUTLIER -101.34 97.1 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 63' ' ' THR . 17.8 mt -93.26 130.56 35.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 134.99 29.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.242 . . . . 0.0 112.366 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.437 HG22 HD13 ' A' ' 88' ' ' LEU . 84.2 t -110.13 75.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -62.49 159.7 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -118.64 124.07 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.526 HD13 ' CE2' ' A' ' 97' ' ' TYR . 5.1 mp -102.17 99.39 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 82' ' ' ALA . 26.5 tt0 -61.23 -40.02 92.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.47 -37.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.1 p -134.34 6.23 3.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm 57.66 43.47 22.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -116.86 177.24 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 7.8 m-85 -134.81 135.82 42.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -125.6 157.13 37.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.437 HD13 HG22 ' A' ' 77' ' ' VAL . 4.0 mm? -96.72 135.05 39.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.44 -132.41 11.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -96.71 -175.66 3.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -75.63 131.56 40.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.47 ' HB3' ' CG ' ' A' ' 95' ' ' GLU . 5.6 tppt? -167.65 149.22 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -103.4 -7.81 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -99.08 2.13 57.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 92' ' ' LYS . 4.7 mm-40 -99.07 173.42 6.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.841 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 98' ' ' PHE . 3.5 pt-20 -76.43 133.94 39.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.526 ' CE2' HD13 ' A' ' 80' ' ' ILE . 5.2 m-85 -125.19 153.76 42.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CD1' HG12 ' A' ' 104' ' ' ILE . 4.8 m-85 -131.32 162.2 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.37 -42.92 93.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.7 m -145.48 -177.53 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.864 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.21 -52.82 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.7 t -47.72 -37.23 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -62.51 -43.88 97.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.581 HG12 ' CD1' ' A' ' 98' ' ' PHE . 62.0 mt -49.74 -42.47 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.34 -46.88 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -59.07 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -47.35 -27.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 110' ' ' HIS . 2.9 m-70 -80.52 -42.31 22.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' HIS . 87.8 mt-30 -34.38 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 108' ' ' HIS . 11.9 m170 -98.17 -48.84 4.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 108' ' ' HIS . 13.4 m-80 -97.85 137.02 20.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 142.5 48.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.309 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.5 tp -89.7 89.84 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.419 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 77.7 t -38.72 136.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.9 mt -127.52 85.77 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 123' ' ' LYS . 23.8 mm -67.47 79.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -41.01 -53.98 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 92.2 p -157.5 -175.15 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -78.26 45.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -110.51 24.6 12.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 60.37 26.78 16.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.8 t -101.95 133.0 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 125' ' ' SER . 0.0 OUTLIER -128.68 25.05 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 123' ' ' LYS . 87.3 m-20 -35.24 93.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 123' ' ' LYS . 35.0 p -101.09 162.99 12.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.8 t -159.91 141.45 12.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -89.1 131.77 35.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.531 HD22 ' CG ' ' A' ' 48' ' ' PHE . 20.6 mt -56.96 114.51 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -115.97 -42.45 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.54 ' CE2' ' HE3' ' A' ' 44' ' ' LYS . 12.1 m-85 -105.1 155.87 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -134.58 97.16 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 38' ' ' ALA . 55.1 t -87.3 130.73 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -113.99 104.61 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 34' ' ' SER . 9.8 p -65.83 161.66 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.451 ' N ' HG22 ' A' ' 134' ' ' VAL . 32.0 t -163.95 137.6 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 t -172.94 146.8 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 178.19 134.31 2.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 153.38 68.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.337 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.8 m -52.81 105.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.2 t -41.47 136.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.462 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -143.16 115.59 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -98.67 97.32 8.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.62 80.51 0.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.533 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -72.05 160.84 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -125.14 146.63 49.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.58 82.8 1.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.526 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' PHE . 53.5 Cg_endo -69.77 -18.52 36.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.323 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' PRO . 18.6 t80 -34.46 -53.86 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -80.59 120.15 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -133.51 86.9 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.2 m -87.93 -51.06 6.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ALA . 8.3 m-85 -94.35 -43.9 8.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -36.79 -48.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -46.44 88.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 13' ' ' PHE . 15.5 mm-40 -54.77 -40.36 69.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 20' ' ' LEU . 37.9 tt0 -52.9 -36.26 59.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.04 80.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -89.05 20.47 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 17' ' ' GLU . 42.6 mt -129.58 -31.02 2.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.473 HD23 ' HE2' ' A' ' 26' ' ' TYR . 79.1 mt -60.67 124.09 19.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.85 -35.63 4.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -49.83 140.41 15.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -11.78 31.59 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.497 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 21.8 p-90 -105.17 -30.5 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 18.5 t80 -62.43 98.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.48 -11.8 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.512 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 71.56 -117.2 6.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.34 44.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 58.5 m -78.26 166.17 23.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.19 134.24 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.439 ' NH1' ' OE2' ' A' ' 36' ' ' GLU . 39.0 ttp85 -47.53 -38.02 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -58.45 -48.9 79.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.1 m -63.26 -35.4 80.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.723 ' HB1' HD21 ' A' ' 49' ' ' LEU . . . -59.07 -45.85 89.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 32' ' ' ARG . 76.8 mt-10 -67.62 -30.85 70.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -71.92 -49.78 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.464 ' HA ' ' NE ' ' A' ' 41' ' ' ARG . . . -65.0 -27.25 68.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.828 HD22 ' HB2' ' A' ' 67' ' ' PHE . 17.8 mt -81.28 -49.01 11.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.502 ' CE1' HG23 ' A' ' 72' ' ' VAL . 30.9 m-70 -62.79 -31.98 73.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' A' ' 38' ' ' ALA . 6.3 ptp180 -74.44 -29.95 61.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 t -58.33 -40.93 83.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 t30 53.16 34.05 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -128.05 83.23 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -38.09 118.77 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.96 -24.76 5.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.492 ' HB3' HG23 ' A' ' 132' ' ' VAL . 9.0 m -56.87 155.96 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.822 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 128' ' ' LEU . 24.5 p90 -157.49 162.85 38.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.723 HD21 ' HB1' ' A' ' 35' ' ' ALA . 2.4 pp -160.14 140.21 11.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 64' ' ' LEU . 21.5 mm -101.39 112.58 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -101.14 124.55 47.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 22.7 ttpt -68.65 141.94 55.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.7 t -129.22 134.19 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 96.4 p -169.19 149.42 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 56' ' ' HIS . . . 118.86 99.36 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.523 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.8 t60 33.92 54.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.842 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -128.99 -179.08 4.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -69.05 -172.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.92 43.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 5.9 tt0 -109.2 94.32 15.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.544 0.688 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.46 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.75 -38.16 8.2 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 61' ' ' PRO . 14.1 m-85 -142.55 166.55 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.9 m -142.59 123.6 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.163 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.679 HD21 ' CD1' ' A' ' 113' ' ' LEU . 11.3 tp -87.2 129.82 34.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.33 102.02 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.0 119.27 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.828 ' HB2' HD22 ' A' ' 39' ' ' LEU . 66.7 t80 -82.8 118.0 23.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -104.47 177.9 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.45 92.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' PHE . 23.1 mmmt 62.12 38.11 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -151.19 167.42 27.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.502 HG23 ' CE1' ' A' ' 40' ' ' HIS . 47.2 t -143.81 120.6 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -113.61 111.55 22.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -99.84 97.05 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.8 mt -89.83 127.49 53.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.508 ' CG ' ' NH1' ' A' ' 78' ' ' ARG . 53.5 Cg_endo -69.82 122.27 8.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.95 76.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH1' ' CG ' ' A' ' 76' ' ' PRO . 1.3 mpt_? -58.41 174.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -138.99 120.21 14.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.45 115.68 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -74.4 -39.07 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -37.47 -40.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.3 p -127.45 -8.05 5.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.26 37.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -109.98 -176.18 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.4 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.7 m-85 -127.76 156.6 42.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -149.27 154.59 39.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.21 140.08 29.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.33 -152.6 51.27 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -87.75 172.64 9.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -55.63 140.46 41.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -134.58 -177.83 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 94' ' ' GLY . 7.8 p30 -79.07 102.78 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 93' ' ' ASN . . . 37.34 54.73 1.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -78.15 168.55 19.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.99 130.31 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -104.8 172.59 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.541 ' CD1' HG12 ' A' ' 104' ' ' ILE . 48.7 m-85 -141.55 114.14 8.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -39.48 -39.58 1.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 m -148.7 168.75 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.4 t -61.7 -45.63 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.89 -35.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -64.72 -43.12 94.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.541 HG12 ' CD1' ' A' ' 98' ' ' PHE . 75.0 mt -52.55 -47.39 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.608 HG13 ' CD1' ' A' ' 128' ' ' LEU . 90.7 t -71.56 -46.52 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -54.04 -65.21 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.517 ' O ' ' CD2' ' A' ' 110' ' ' HIS . 1.9 m -47.41 -33.74 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 104' ' ' ILE . 4.9 m-70 -70.91 -33.85 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -40.22 -33.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 107' ' ' SER . 25.2 p80 -105.65 -46.84 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 107' ' ' SER . 2.1 p30 -87.9 141.04 31.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.668 0.747 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.95 49.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.679 ' CD1' HD21 ' A' ' 64' ' ' LEU . 2.6 tt -89.63 87.43 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.485 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.2 p -49.1 126.22 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 117' ' ' ASP . 29.0 mt -113.49 79.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.86 81.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -82.1 83.39 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.5 t -48.6 -22.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -48.92 -37.36 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.658 ' O ' HG23 ' A' ' 122' ' ' THR . 6.6 m-20 -131.08 27.2 4.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 120' ' ' ASN . 2.0 p30 34.77 46.19 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 120' ' ' ASN . 10.5 p -120.27 163.96 17.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -117.98 92.35 3.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -103.94 101.4 11.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.485 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.3 p -105.11 135.81 45.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.8 t -144.17 135.26 25.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -78.99 164.81 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.608 ' CD1' HG13 ' A' ' 105' ' ' VAL . 47.7 mt -91.79 107.5 19.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -106.67 -44.83 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 1.9 m-85 -105.82 150.63 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -127.56 97.47 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 47' ' ' SER . 85.0 t -78.86 121.15 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -105.99 102.72 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.724 HG12 ' H ' ' A' ' 135' ' ' SER . 1.0 OUTLIER -62.45 -174.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.724 ' H ' HG12 ' A' ' 134' ' ' VAL . 39.3 t -175.48 173.58 2.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 54.3 m -100.94 -32.1 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -115.26 155.42 16.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -20.56 34.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.2 m -88.18 164.68 15.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 64.7 p 41.13 45.57 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -55.61 -60.83 2.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -65.6 121.19 14.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.81 168.21 40.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -113.14 -70.93 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.827 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -44.89 131.36 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.08 138.1 9.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 63.79 39.93 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 12' ' ' THR . 4.4 m120 -165.54 111.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -57.45 83.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' ASN . 90.2 m -121.29 -65.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -81.02 -50.43 9.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.03 -50.19 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -41.88 91.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -57.92 -34.79 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 20' ' ' LEU . 12.8 tt0 -57.33 -37.71 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.39 -41.11 62.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -88.39 18.53 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 17' ' ' GLU . 32.5 mt -126.48 -32.23 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.39 124.86 22.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.35 -32.32 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HB3' ' CE2' ' A' ' 25' ' ' TRP . 59.1 mmtt -51.49 136.89 32.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.76 36.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.457 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 17.0 p-90 -94.02 -30.61 14.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 24.6 t80 -58.6 96.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -66.58 -14.32 62.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.51 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.5 -138.12 21.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.29 51.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.3 t -85.5 171.36 11.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.39 135.42 39.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.457 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 27.2 ttt180 -44.32 -40.11 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -57.64 -54.61 44.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.516 ' HB3' HG21 ' A' ' 134' ' ' VAL . 4.9 m -52.97 -39.63 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -56.98 -36.92 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -80.95 -39.78 25.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.47 -55.18 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.683 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -55.41 -24.59 31.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.771 HD22 ' HB2' ' A' ' 67' ' ' PHE . 27.3 mt -83.82 -51.03 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -58.38 -30.68 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 42' ' ' SER . 18.9 ptt180 -73.35 -30.86 63.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 7.9 t -59.19 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.9 t30 63.87 35.61 10.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' ASP . 22.1 mtpp -128.76 82.3 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' LYS . 1.1 p-10 -37.15 117.99 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.36 -16.47 6.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -62.08 156.51 21.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 20.7 p90 -157.0 156.51 33.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 49' ' ' LEU . 4.0 pp -162.35 130.92 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.558 HD13 ' HA ' ' A' ' 64' ' ' LEU . 9.1 mm -89.9 118.16 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 21.1 ptt180 -109.53 126.89 54.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -63.83 141.48 58.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 p -44.04 132.55 5.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -90.01 -55.59 3.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.98 -171.69 32.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -89.28 81.0 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.23 175.04 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.8 m -113.04 -63.98 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -108.97 26.9 10.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -120.94 83.35 37.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.588 0.708 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.463 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 53.9 Cg_endo -69.78 -40.15 5.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.463 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 19.1 m-85 -145.19 178.39 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.1 m -151.14 126.09 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.558 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.6 tp -82.82 136.9 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.418 HG21 ' HD3' ' A' ' 51' ' ' ARG . 21.8 t -122.91 100.21 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.19 115.27 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.771 ' HB2' HD22 ' A' ' 39' ' ' LEU . 48.6 t80 -83.32 118.69 23.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -104.29 177.48 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -47.02 91.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' PHE . 33.9 mmtm 60.54 38.07 19.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -149.4 157.0 42.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.2 t -130.98 123.76 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -114.56 117.67 31.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -97.81 102.25 13.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 63' ' ' THR . 34.6 mt -97.29 122.05 56.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 127.03 14.02 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.358 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.91 80.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -63.03 159.06 17.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.529 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 40.8 t80 -128.7 126.04 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.8 96.7 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' ALA . 3.6 tp10 -55.19 -40.83 71.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -37.38 -44.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 p -123.32 8.39 9.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.529 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 25.7 mmtm 53.61 38.52 28.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -107.4 -179.08 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.541 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.8 m-85 -127.52 156.9 41.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.884 ' C ' HD23 ' A' ' 88' ' ' LEU . . . -152.21 166.43 31.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.884 HD23 ' C ' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -108.88 166.95 10.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.68 169.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.428 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -67.15 -175.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -44.51 141.2 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -166.51 133.35 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -89.25 109.58 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.1 48.28 2.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.495 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -111.88 158.65 19.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -69.22 141.51 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.458 ' O ' ' CG ' ' A' ' 98' ' ' PHE . 71.3 m-85 -112.31 -179.77 3.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.541 ' CD2' HG12 ' A' ' 104' ' ' ILE . 91.4 m-85 -159.07 115.83 2.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -37.2 -40.13 0.54 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.8 m -147.95 177.92 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.399 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.463 ' HA ' HD12 ' A' ' 104' ' ' ILE . 92.4 t -68.69 -42.04 82.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.53 -43.05 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -56.9 -37.64 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 86' ' ' TYR . 72.8 mt -58.77 -45.0 91.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.57 HG13 HD13 ' A' ' 128' ' ' LEU . 96.4 t -72.7 -50.79 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -57.8 -56.78 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -54.98 -23.22 18.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.736 ' CD2' HD22 ' A' ' 113' ' ' LEU . 2.0 m-70 -89.31 -35.23 16.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -37.61 -39.19 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -101.78 -50.87 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' HIS . 76.4 m-20 -77.85 138.39 61.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 143.64 51.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.736 HD22 ' CD2' ' A' ' 108' ' ' HIS . 9.7 tp -106.25 89.71 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.3 t -49.04 115.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.563 ' CD2' HD11 ' A' ' 75' ' ' ILE . 9.4 mt -97.73 83.63 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 39.7 mm -69.2 108.08 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 118' ' ' SER . 26.4 t0 -104.17 99.04 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 119' ' ' GLN . 33.3 t -36.56 -48.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 118' ' ' SER . 18.5 tt0 -34.89 -47.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -128.39 142.51 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -80.95 46.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 56.5 p -101.54 157.62 16.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -119.78 81.12 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -99.99 158.85 15.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.2 p -163.41 147.4 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.1 t -147.89 144.76 28.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -93.2 134.7 35.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.57 HD13 HG13 ' A' ' 105' ' ' VAL . 22.7 mt -56.93 113.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -112.55 -40.42 4.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 18.2 m-85 -111.78 159.42 18.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.75 96.41 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.11 133.07 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -113.34 103.58 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.683 HG23 ' HB2' ' A' ' 38' ' ' ALA . 1.8 p -83.45 29.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.9 m -96.85 31.64 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 18.9 t -100.48 147.71 25.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 82.32 160.41 27.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 174.96 8.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.383 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.2 t -105.99 -56.85 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 87.1 p -69.57 121.71 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 p -51.2 134.94 26.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.4 p 44.99 41.84 5.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.55 103.11 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.54 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.2 p -172.25 159.67 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -130.3 -53.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.15 84.13 0.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.61 3.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -60.01 -61.19 2.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -80.84 142.85 33.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.8 p -95.76 80.31 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.564 ' HB ' ' CE1' ' A' ' 13' ' ' PHE . 68.8 p -110.96 143.9 40.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 0.2 OUTLIER 40.58 25.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -93.09 -40.69 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.22 -40.54 77.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -60.22 -33.26 72.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.736 ' HA ' HD12 ' A' ' 20' ' ' LEU . 7.2 tt0 -59.42 -37.3 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.12 -44.12 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -87.0 22.54 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 17' ' ' GLU . 31.4 mt -129.3 -31.52 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.41 129.06 38.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.45 -33.82 5.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 69.6 mmtt -51.38 139.2 27.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -21.81 32.87 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.73 2.286 . . . . 0.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CZ3' HG13 ' A' ' 50' ' ' ILE . 26.7 p-90 -91.31 -15.22 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.514 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 37.7 t80 -74.26 97.56 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.931 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.87 -14.5 63.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.064 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.514 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.94 -158.17 46.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.14 42.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.727 0.298 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.6 p -73.87 -177.47 2.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' SER . 3.2 m-20 -106.02 139.92 39.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 32' ' ' ARG . 20.1 ttp-105 -37.22 -43.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -59.71 -45.07 93.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.901 ' HB3' HG21 ' A' ' 134' ' ' VAL . 4.6 m -63.12 -44.03 96.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.645 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -61.78 -47.85 83.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.599 ' HG2' HG11 ' A' ' 72' ' ' VAL . 50.4 mt-10 -65.94 -49.78 66.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -51.8 -58.95 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 41' ' ' ARG . . . -48.47 -28.88 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.716 HD22 ' CB ' ' A' ' 67' ' ' PHE . 36.7 mt -81.1 -57.8 3.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.418 ' CE1' HG23 ' A' ' 72' ' ' VAL . 26.9 m-70 -52.62 -31.72 38.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 38' ' ' ALA . 4.0 ptm180 -78.0 -27.59 49.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.9 t -67.89 -46.55 71.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 61.5 43.3 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.577 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 30.3 mttt -129.27 84.05 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.07 123.51 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.29 -21.32 10.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.1 m -56.75 160.21 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 26.6 p90 -160.22 160.64 32.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.931 HD13 ' HB2' ' A' ' 27' ' ' ALA . 2.4 pp -162.92 129.68 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.562 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 9.5 mm -86.84 118.36 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 ptt85 -104.27 131.91 51.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -83.23 135.43 34.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 t -83.38 -179.35 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 m -174.96 171.35 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' HIS . . . 58.44 166.07 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 55' ' ' GLY . 2.0 t-160 -35.99 123.65 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -175.1 -178.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.5 m -76.74 -172.93 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -77.02 43.65 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -103.33 97.66 10.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.88 9.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.456 ' CD2' HG21 ' A' ' 101' ' ' VAL . 12.9 m-85 -145.49 167.1 23.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 75' ' ' ILE . 69.7 m -142.74 121.75 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.192 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.6 tp -80.5 136.42 36.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 t -124.3 100.11 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.6 120.25 29.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.716 ' CB ' HD22 ' A' ' 39' ' ' LEU . 41.0 t80 -90.1 116.77 28.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.05 -173.89 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 3.3 m120 -49.31 86.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' PHE . 26.3 mmmt 64.83 24.97 12.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 2.1 mmp_? -127.21 164.41 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.599 HG11 ' HG2' ' A' ' 36' ' ' GLU . 82.7 t -139.79 122.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -118.93 113.24 20.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -97.93 100.68 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.623 ' O ' HG23 ' A' ' 63' ' ' THR . 27.1 mt -100.24 124.18 44.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.04 20.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.79 77.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -54.79 171.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -136.37 111.98 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.47 103.6 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 82' ' ' ALA . 25.6 tt0 -64.63 -35.9 82.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.79 -37.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 p -134.11 2.68 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 62.63 40.5 10.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -111.05 -175.93 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.47 ' HB3' HD11 ' A' ' 104' ' ' ILE . 57.1 m-85 -134.76 144.62 47.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -132.63 167.68 19.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -104.61 135.32 46.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.54 176.93 51.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -102.3 -13.23 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -164.83 139.0 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -172.1 151.11 2.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -91.98 104.14 16.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.91 56.53 2.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.52 151.97 22.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -92.95 136.72 33.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -96.0 158.16 15.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CD2' HG12 ' A' ' 104' ' ' ILE . 90.1 m-85 -133.48 145.97 50.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.46 -37.18 92.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -154.19 173.8 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.456 HG21 ' CD2' ' A' ' 62' ' ' TYR . 90.2 t -64.03 -46.73 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.4 t -50.89 -40.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -59.29 -43.81 92.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.527 HG12 ' CD2' ' A' ' 98' ' ' PHE . 75.0 mt -51.89 -32.8 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.07 -41.68 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -64.74 -58.8 5.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -54.55 -26.9 34.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.512 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.8 OUTLIER -79.5 -40.12 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 108' ' ' HIS . 26.8 mt-30 -36.68 -42.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -99.77 -41.6 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -89.65 131.06 41.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.419 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 53.8 Cg_endo -69.74 142.45 48.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.392 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 108' ' ' HIS . 46.1 tp -101.8 84.17 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 89.5 t -33.61 128.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.6 mt -118.54 84.18 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.734 ' H ' HD12 ' A' ' 116' ' ' ILE . 4.8 mp -61.91 92.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -39.6 -52.74 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 119' ' ' GLN . 2.4 m -159.35 179.05 9.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 118' ' ' SER . 37.1 mt-30 -34.72 -45.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -38.78 151.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -62.57 -26.69 68.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.1 p -47.82 115.14 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.42 ' HB2' ' CG1' ' A' ' 114' ' ' VAL . 10.1 ptmt -133.45 99.67 4.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.61 121.03 32.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 14.9 p -108.4 145.97 33.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -147.16 138.59 24.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 24.5 mtm180 -89.86 131.33 35.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 26.7 mt -54.28 121.47 8.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -124.67 -35.34 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.577 ' CD2' ' HD3' ' A' ' 44' ' ' LYS . 2.1 m-85 -111.97 148.14 34.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.64 98.58 5.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 99.6 t -88.5 132.3 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -119.31 103.76 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.901 HG21 ' HB3' ' A' ' 34' ' ' SER . 13.8 p -43.57 -35.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.3 t -64.64 -41.3 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.4 ' O ' ' HD2' ' A' ' 138' ' ' PRO . 8.4 t -52.5 149.84 5.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.38 -105.11 2.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 136' ' ' SER . 53.5 Cg_endo -69.73 121.35 8.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.9 t -61.62 113.91 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 141' ' ' GLY . 3.6 m -39.81 101.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 140' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -98.92 92.11 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -139.31 172.34 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.45 51.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -106.39 119.83 40.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -149.74 177.82 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.35 -82.8 1.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.26 54.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -40.3 -62.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -63.36 141.64 58.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -107.27 109.26 21.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.8 m -75.36 -59.54 2.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -45.01 -42.28 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.82 -45.33 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.09 -43.47 73.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -62.39 -43.12 99.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.741 ' HA ' HD12 ' A' ' 20' ' ' LEU . 6.2 tt0 -49.15 -42.65 40.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.15 -42.58 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -93.48 26.7 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.741 HD12 ' HA ' ' A' ' 17' ' ' GLU . 31.2 mt -130.4 -32.16 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.619 HD23 ' HE2' ' A' ' 26' ' ' TYR . 52.5 mt -61.86 127.08 29.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.91 -36.2 4.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.474 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -43.07 138.32 2.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -4.26 13.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.8 p-90 -113.74 -24.75 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.619 ' HE2' HD23 ' A' ' 21' ' ' LEU . 32.9 t80 -66.7 98.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.649 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -66.15 -21.09 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.515 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 83.48 -124.91 6.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.27 39.55 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.4 162.32 27.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.43 165.34 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -61.36 -36.55 80.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.3 tttt -63.39 -61.91 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.643 ' HB3' HG11 ' A' ' 134' ' ' VAL . 15.1 m -43.13 -40.4 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -65.44 -41.34 93.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.25 -28.02 61.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.06 -58.81 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.67 -23.49 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.594 HD22 ' HB2' ' A' ' 67' ' ' PHE . 46.8 mt -86.79 -51.22 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -61.27 -30.22 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.9 ptt85 -72.28 -36.46 68.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 t -57.34 -45.52 84.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 61.42 40.81 13.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 34.3 mtpt -132.33 82.22 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -36.65 121.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.03 -26.22 5.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 m -51.62 159.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.635 ' CG ' HD22 ' A' ' 128' ' ' LEU . 24.4 p90 -161.16 151.41 17.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.649 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.9 pp -156.76 134.23 10.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.738 HD13 ' HA ' ' A' ' 64' ' ' LEU . 18.9 mm -91.76 126.56 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -115.22 127.61 55.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -67.81 140.49 56.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.9 t -110.1 169.82 8.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -117.61 174.72 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.92 -172.31 0.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.419 ' CD2' ' H ' ' A' ' 57' ' ' ASP . 22.0 p-80 -64.65 -60.3 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.831 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 4.6 t70 43.34 52.5 5.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LYS . 39.8 m 61.24 54.99 3.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 7.1 mptt 37.13 37.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 0.8 OUTLIER -103.16 95.46 6.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.703 . . . . 0.0 110.904 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 60' ' ' GLN . 53.6 Cg_endo -69.73 -38.73 7.46 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -131.19 168.16 17.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 75' ' ' ILE . 85.6 m -142.75 128.65 19.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.738 ' HA ' HD13 ' A' ' 50' ' ' ILE . 8.4 tp -87.0 125.77 34.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.496 HG22 ' HB3' ' A' ' 74' ' ' ASN . 45.9 t -114.98 103.83 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.25 120.87 33.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.594 ' HB2' HD22 ' A' ' 39' ' ' LEU . 49.1 t80 -83.44 122.02 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.4 t80 -109.85 178.76 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -45.43 92.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' PHE . 34.1 mmtm 58.19 36.89 26.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HG2' ' C ' ' A' ' 70' ' ' LYS . 20.9 mmt85 -145.5 169.7 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 90.7 t -147.06 122.26 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -116.83 112.54 21.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.496 ' HB3' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -99.08 99.92 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 63' ' ' THR . 24.4 mt -94.12 127.6 44.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 120.85 7.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.362 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.472 HG12 ' HD2' ' A' ' 86' ' ' TYR . 95.6 t -83.6 79.81 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 -59.44 155.88 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -129.8 123.64 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 80' ' ' ILE . 4.5 mp -101.77 118.81 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 82' ' ' ALA . 49.3 tt0 -71.37 -37.39 71.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.94 -40.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 38.5 p -132.07 6.4 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.32 39.21 28.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 97' ' ' TYR . 30.8 mt-30 -110.85 176.37 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.546 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 51.0 m-85 -119.58 152.26 37.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.18 169.18 18.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.31 133.29 55.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.7 174.75 26.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -98.01 -13.11 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 91' ' ' LYS . 12.0 tmtt? -155.43 130.42 9.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 93' ' ' ASN . 4.7 tppp? -164.37 148.65 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.448 ' N ' ' HG3' ' A' ' 92' ' ' LYS . 1.5 t30 -81.63 118.27 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.06 49.9 73.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.83 124.26 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.321 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.06 130.45 40.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.444 ' C ' ' OE1' ' A' ' 85' ' ' GLN . 94.0 m-85 -88.78 133.99 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -110.82 157.51 19.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.62 -39.45 67.46 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.451 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.546 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.5 m -155.88 177.15 11.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.554 ' HA ' HD12 ' A' ' 104' ' ' ILE . 86.2 t -60.96 -48.89 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.6 t -49.21 -51.01 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -50.64 -44.8 57.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 101' ' ' VAL . 87.4 mt -51.14 -43.38 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.446 HG13 HD13 ' A' ' 128' ' ' LEU . 97.0 t -76.57 -55.12 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.43 ' HA ' ' CD ' ' A' ' 109' ' ' GLN . 34.6 m-20 -47.76 -51.49 22.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -64.7 -50.65 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.606 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.3 OUTLIER -51.16 -44.66 61.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 108' ' ' HIS . 58.8 mt-30 -33.86 -40.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -99.97 -45.74 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -86.29 132.68 42.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.44 47.96 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.606 HD22 ' CD2' ' A' ' 108' ' ' HIS . 21.2 tp -113.92 92.87 4.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 113' ' ' LEU . 7.6 p -36.58 139.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.557 HD23 HD11 ' A' ' 75' ' ' ILE . 47.1 mt -126.68 131.4 51.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.524 HD11 ' HE3' ' A' ' 123' ' ' LYS . 41.3 mt -132.93 147.12 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -104.26 88.44 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.6 t 53.54 48.34 21.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.408 ' HA ' HG21 ' A' ' 116' ' ' ILE . 19.5 tt0 49.17 46.14 22.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.521 ' O ' HG23 ' A' ' 122' ' ' THR . 52.9 m-20 -86.26 37.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 48.97 44.3 22.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 120' ' ' ASN . 58.9 p -144.02 115.56 8.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.524 ' HE3' HD11 ' A' ' 116' ' ' ILE . 44.4 mttp -116.42 93.61 4.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.5 m-20 -109.13 92.52 4.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 85.6 p -80.17 159.04 26.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.8 t -171.04 140.22 1.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.129 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -89.83 140.13 29.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.635 HD22 ' CG ' ' A' ' 48' ' ' PHE . 30.2 mt -59.74 114.51 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -112.27 -44.03 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.582 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.9 m-85 -109.25 154.1 22.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -128.26 94.86 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 65.6 t -98.6 102.56 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -94.16 111.25 22.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.754 HG12 ' H ' ' A' ' 135' ' ' SER . 1.4 t -52.75 -175.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.754 ' H ' HG12 ' A' ' 134' ' ' VAL . 79.3 p -174.92 116.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.3 p -92.29 170.31 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -176.17 71.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 135.75 31.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.713 2.276 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.3 t -154.03 143.39 21.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.4 t 68.72 42.12 1.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m 50.28 41.64 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 110.901 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 4' ' ' GLY . 19.4 m -144.17 138.11 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.1 62.31 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -107.66 83.08 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.389 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -72.43 106.36 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.29 77.89 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 9' ' ' PHE . 53.8 Cg_endo -69.75 92.32 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' PRO . 84.7 m-85 34.44 42.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -127.01 89.94 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.9 p -99.23 52.46 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.8 p -70.18 -56.35 7.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.194 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' ALA . 8.9 m-85 -74.15 -48.93 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -34.8 -48.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.0 -47.64 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' PHE . 16.7 mm100 -56.42 -37.5 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.65 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.1 tp10 -55.12 -40.14 70.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.35 -32.68 64.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -98.12 24.9 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 17' ' ' GLU . 39.6 mt -129.0 -30.59 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.713 HD23 ' HE2' ' A' ' 26' ' ' TYR . 51.0 mt -65.64 128.18 34.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.54 -33.35 6.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -45.16 138.65 4.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.25 15.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 25.9 p-90 -113.05 -25.2 9.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.713 ' HE2' HD23 ' A' ' 21' ' ' LEU . 23.5 t80 -66.32 95.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.732 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -69.51 -16.3 63.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.492 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 77.35 -149.26 35.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.76 46.8 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.312 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.5 t -83.4 163.39 20.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.02 141.22 58.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -50.42 -54.41 22.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -45.11 -57.13 4.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.54 ' HB3' HG21 ' A' ' 134' ' ' VAL . 66.9 m -50.61 -49.83 55.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -50.37 -46.55 56.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -69.34 -39.54 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -61.96 -59.58 4.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.19 -25.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.577 ' CD1' HG12 ' A' ' 65' ' ' VAL . 19.1 mt -88.31 -46.56 9.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -61.61 -29.01 69.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -71.83 -41.22 68.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -53.67 -52.41 60.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 68.75 42.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' A' ' 130' ' ' TYR . 37.9 mtpt -131.33 85.73 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.62 113.64 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.69 -24.7 3.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.488 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 4.4 m -51.66 154.3 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.796 ' HB3' HD22 ' A' ' 128' ' ' LEU . 20.7 p90 -153.6 156.93 38.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.775 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.3 pp -166.43 126.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 64' ' ' LEU . 11.0 mm -86.94 124.97 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -114.15 121.59 44.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 53' ' ' SER . 15.6 tttm -43.56 152.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 52' ' ' LYS . 7.9 p -34.64 140.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -51.33 -43.99 61.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.3 -36.07 0.65 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.531 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -113.62 86.68 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 2.1 p30 -175.09 159.67 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.0 m -130.59 -44.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 39.9 mmtt -73.42 -27.27 61.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -106.12 88.08 2.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.701 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 59' ' ' LYS . 53.8 Cg_endo -69.74 -35.86 11.94 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.516 ' CD2' HG21 ' A' ' 101' ' ' VAL . 50.1 m-85 -133.44 172.91 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.937 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 75' ' ' ILE . 60.1 m -145.58 145.72 31.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.648 ' HA ' HD13 ' A' ' 50' ' ' ILE . 21.5 tp -100.25 145.54 27.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.577 HG12 ' CD1' ' A' ' 39' ' ' LEU . 59.4 t -131.21 97.88 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.28 122.3 36.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -93.16 115.99 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.513 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -103.6 -171.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -47.35 95.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm 52.52 49.57 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.513 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 9.6 ptp180 -169.28 168.79 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.574 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 64.0 t -144.28 143.62 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -120.05 125.47 48.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -102.25 101.19 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.437 ' O ' HG23 ' A' ' 63' ' ' THR . 22.7 mt -104.1 122.94 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.698 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.695 2.264 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.5 t -83.88 80.26 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -58.78 170.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 7.6 t80 -145.71 118.78 8.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 80' ' ' ILE . 4.8 mp -90.18 128.76 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' ALA . 30.6 tt0 -78.12 -48.32 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -35.53 -37.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.4 p -125.09 -2.64 7.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 8.2 mmmm 55.63 41.89 30.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -114.19 169.38 9.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.465 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 59.0 m-85 -108.16 153.73 22.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.09 167.24 22.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.42 135.18 50.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.432 ' H ' HG22 ' A' ' 75' ' ' ILE . . . 69.28 -176.41 30.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -101.04 -13.38 18.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -160.91 137.89 8.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -167.37 117.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -54.0 118.95 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 54.64 62.09 6.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.83 141.6 28.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -84.91 133.12 34.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -94.06 145.31 24.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.447 ' CD1' HG12 ' A' ' 104' ' ' ILE . 7.1 m-85 -120.2 163.86 17.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.05 -38.92 21.44 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.465 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.5 m -148.35 175.98 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.926 0.393 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.516 HG21 ' CD2' ' A' ' 62' ' ' TYR . 89.7 t -65.82 -45.37 91.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.067 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.5 t -51.55 -44.75 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -57.49 -43.81 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.547 ' O ' ' CG ' ' A' ' 108' ' ' HIS . 93.9 mt -54.38 -38.83 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.7 t -78.34 -54.63 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -49.99 -48.71 52.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -66.8 -42.9 85.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.798 ' CD2' HD22 ' A' ' 113' ' ' LEU . 0.6 OUTLIER -60.3 -39.54 87.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -37.92 -42.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.495 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 10.5 m-70 -97.59 -51.76 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 108' ' ' HIS . 37.4 m-80 -80.69 134.49 53.86 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.64 0.733 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 144.04 52.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.798 HD22 ' CD2' ' A' ' 108' ' ' HIS . 43.8 tp -111.01 84.82 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.48 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 9.7 p -43.73 131.05 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.2 mt -115.7 90.94 3.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.543 HD11 ' HZ2' ' A' ' 123' ' ' LYS . 66.6 mt -93.07 86.14 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 118' ' ' SER . 22.2 t0 -89.11 113.03 24.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' ASP . 13.7 p -34.35 -36.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 117' ' ' ASP . 17.6 mm-40 -52.79 99.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 121' ' ' ASN . 46.1 m-20 61.67 30.67 18.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 121' ' ' ASN . 2.1 p-10 36.02 49.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.5 p -82.83 99.68 9.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.543 ' HZ2' HD11 ' A' ' 116' ' ' ILE . 21.7 tttp -99.8 109.13 21.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 1.3 m-20 -139.33 126.39 21.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 28.4 p -109.78 143.1 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.2 t -151.48 154.4 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 110' ' ' HIS . 10.9 mtm-85 -103.01 116.45 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.796 HD22 ' HB3' ' A' ' 48' ' ' PHE . 48.2 mt -41.69 111.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -112.59 -40.37 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' A' ' 44' ' ' LYS . 3.6 m-85 -110.05 145.34 37.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -122.51 95.08 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 93.0 t -98.33 116.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -104.54 131.34 52.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.732 HG12 ' HB1' ' A' ' 27' ' ' ALA . 6.0 p -84.47 163.98 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.452 ' N ' HG22 ' A' ' 134' ' ' VAL . 8.4 t -164.25 111.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.5 t -148.45 129.99 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.47 172.83 54.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 130.78 19.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.2 t -125.16 101.1 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.7 t -104.84 129.31 53.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 m 54.61 42.03 31.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -56.69 134.1 54.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.33 -112.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 6' ' ' SER . 21.1 t -75.0 -44.24 49.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.833 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 5' ' ' SER . 53.1 m -37.42 116.67 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.23 169.7 32.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 146.37 60.14 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.62 -51.87 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -111.82 159.57 18.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.8 m -88.86 109.0 19.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.0 m -124.25 -61.93 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.178 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 61' ' ' PRO . 9.6 m-85 -61.03 -48.38 82.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.06 -43.31 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.32 -50.71 71.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -57.13 -38.08 72.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.672 ' HA ' HD12 ' A' ' 20' ' ' LEU . 5.9 tt0 -51.41 -41.76 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.74 -35.71 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.43 25.8 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 17' ' ' GLU . 39.3 mt -129.52 -31.68 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.815 HD23 ' HE2' ' A' ' 26' ' ' TYR . 28.5 mt -64.06 129.7 41.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.42 -34.56 5.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.521 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 26' ' ' TYR . 36.4 mmtt -48.79 140.9 10.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -19.35 36.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.544 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 29.0 p-90 -99.82 -24.85 14.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.815 ' HE2' HD23 ' A' ' 21' ' ' LEU . 28.3 t80 -70.07 94.64 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.552 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.22 -20.28 64.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.47 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 76.37 -149.27 36.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.439 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.51 47.95 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.4 m -90.38 159.42 16.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.02 158.28 35.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 21.0 ttm105 -66.1 -42.53 89.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -48.47 -58.35 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 m -57.07 -32.02 65.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -45.13 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -73.88 -39.04 64.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.29 -55.37 14.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' HG11 ' A' ' 132' ' ' VAL . . . -53.49 -25.24 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 67' ' ' PHE . 31.1 mt -85.52 -48.87 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.405 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 25.3 m-70 -61.49 -30.33 70.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.3 ptm180 -71.78 -33.81 68.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.467 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 14.4 t -60.78 -46.92 88.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 t30 64.81 37.52 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 12.1 mmmt -123.76 83.74 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.59 115.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.14 -19.76 6.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 m -53.37 152.65 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.658 ' HB3' HD22 ' A' ' 128' ' ' LEU . 26.9 p90 -149.21 151.29 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.8 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.5 pp -158.7 130.47 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.423 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 6.4 mm -87.92 135.43 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 1.2 ptm85 -128.98 122.78 30.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -64.05 139.56 58.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -49.47 126.57 13.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 m -56.61 -40.47 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -105.37 126.37 8.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -42.97 102.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -138.07 130.34 28.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 t -78.41 -38.37 41.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -58.63 -44.29 89.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -119.82 88.72 40.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.72 -42.96 2.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.486 ' CD2' HG21 ' A' ' 101' ' ' VAL . 44.7 m-85 -140.61 168.49 19.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 75' ' ' ILE . 22.4 m -143.33 122.76 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' CD2' ' CD1' ' A' ' 113' ' ' LEU . 25.5 tp -81.89 141.49 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 24.5 t -125.14 97.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.56 119.33 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.477 ' HB2' HD22 ' A' ' 39' ' ' LEU . 62.0 t80 -88.91 116.52 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.21 -176.03 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.468 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 34.8 p-10 -48.15 87.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 68' ' ' PHE . 30.5 mmtp 64.24 32.58 12.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -142.59 163.94 31.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.515 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 59.0 t -137.67 122.65 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.594 ' CE2' ' OD2' ' A' ' 117' ' ' ASP . 4.8 m-85 -110.16 118.18 35.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -96.71 104.48 16.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.488 HD11 HD23 ' A' ' 115' ' ' LEU . 42.3 mt -103.97 120.88 49.75 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 118.67 5.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.9 t -89.03 83.71 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 mtt85 -65.75 163.92 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 31.9 t80 -131.03 130.63 43.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.9 126.24 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' ALA . 34.8 tt0 -73.91 -41.6 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -34.37 -53.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 p -117.71 8.54 12.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 26.7 mmtm 50.75 42.32 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -111.82 -178.15 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.514 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 33.6 m-85 -122.97 151.83 41.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.869 ' C ' HD23 ' A' ' 88' ' ' LEU . . . -143.57 172.26 13.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.869 HD23 ' C ' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -109.48 163.01 13.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 44.82 -161.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -81.01 172.82 13.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -58.66 131.14 49.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -135.86 154.78 51.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -64.36 -47.82 77.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -104.27 57.83 0.52 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -102.89 143.73 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.23 137.48 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -95.19 163.78 13.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD2' HG12 ' A' ' 104' ' ' ILE . 78.4 m-85 -142.84 120.08 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.58 -44.29 0.43 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.514 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.6 m -154.49 179.94 8.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.486 HG21 ' CD2' ' A' ' 62' ' ' TYR . 89.9 t -61.57 -52.18 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.181 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.533 HG12 ' ND2' ' A' ' 106' ' ' ASN . 84.4 t -49.04 -40.24 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -59.97 -43.52 95.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 98' ' ' PHE . 68.4 mt -51.77 -33.97 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.42 HG13 ' CD1' ' A' ' 128' ' ' LEU . 92.3 t -86.25 -50.33 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.533 ' ND2' HG12 ' A' ' 102' ' ' VAL . 25.9 m-20 -50.65 -51.96 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.72 -45.2 83.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 1.6 m-70 -54.06 -38.89 65.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' HIS . 55.6 mt-30 -34.32 -36.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 108' ' ' HIS . 21.4 m170 -97.58 -53.6 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -81.81 128.33 69.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.615 0.722 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 139.17 39.63 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.351 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.461 ' CD1' ' CD2' ' A' ' 64' ' ' LEU . 2.1 tt -86.01 89.86 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.742 HG21 ' HD2' ' A' ' 123' ' ' LYS . 5.4 p -51.99 116.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.488 HD23 HD11 ' A' ' 75' ' ' ILE . 18.3 mt -99.35 110.21 22.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 96.8 mt -106.21 108.91 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 73' ' ' TYR . 25.9 m-20 -115.91 94.9 4.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 117' ' ' ASP . 4.0 m -33.88 -57.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 120' ' ' ASN . 29.6 pt20 -39.64 -47.9 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 119' ' ' GLN . 55.6 m-80 -78.37 -47.7 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 73.53 43.57 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.3 p -139.78 109.8 6.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.742 ' HD2' HG21 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -63.51 96.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 114' ' ' VAL . 1.1 m-20 -105.52 177.9 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.2 p -170.31 151.78 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.2 t -164.83 142.41 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 -94.38 138.02 32.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.658 HD22 ' HB3' ' A' ' 48' ' ' PHE . 32.4 mt -60.84 106.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -112.38 -43.82 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.568 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 1.9 m-85 -103.75 148.02 26.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.88 100.55 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 38' ' ' ALA . 85.6 t -88.05 147.04 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -121.45 144.68 48.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.99 146.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.1 t -175.69 163.27 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 96.2 p -89.54 131.93 35.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -122.67 161.63 16.8 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.68 13.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 74.7 m -122.76 -56.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.3 t -95.43 143.36 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.528 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -54.16 176.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -128.52 40.84 3.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.75 139.9 0.13 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t -96.98 111.01 23.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -128.95 115.56 18.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' CD2' ' A' ' 9' ' ' PHE . . . 123.17 75.38 0.31 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 103.39 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.725 2.283 . . . . 0.0 112.322 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.718 ' O ' HG23 ' A' ' 12' ' ' THR . 11.9 m-85 -123.91 117.0 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' SER . 31.4 t30 39.69 40.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' ASN . 46.0 m 34.57 43.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 9' ' ' PHE . 42.5 p -52.59 -178.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 61' ' ' PRO . 6.6 m-85 -36.42 -36.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -36.38 -50.58 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.5 -47.71 75.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -57.57 -42.65 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 20' ' ' LEU . 33.6 tt0 -42.96 -42.17 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.37 -41.24 68.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -84.19 16.6 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 17' ' ' GLU . 30.0 mt -127.22 -32.52 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.41 HD23 ' HE2' ' A' ' 26' ' ' TYR . 62.2 mt -59.57 136.48 58.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.98 -32.62 6.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -51.58 139.1 29.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -11.25 30.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.584 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 33.7 p-90 -106.79 -27.26 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 30.0 t80 -68.03 98.94 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.512 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -72.4 -16.16 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.466 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 83.68 -115.95 4.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.14 45.07 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.727 0.299 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.0 m -83.3 151.58 25.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -76.11 133.23 40.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -40.39 -40.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -51.67 -61.83 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -55.97 -35.12 66.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.521 ' HB1' HD21 ' A' ' 49' ' ' LEU . . . -62.84 -41.91 99.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -70.7 -34.02 71.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -68.87 -58.87 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.72 -24.94 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.401 HD22 ' CB ' ' A' ' 67' ' ' PHE . 20.1 mt -84.63 -47.32 10.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.96 -29.87 69.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 42' ' ' SER . 4.7 ptm180 -74.83 -33.98 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.477 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 41.4 t -59.32 -49.73 76.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 65.29 45.21 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.459 ' HD3' ' CD2' ' A' ' 130' ' ' TYR . 37.4 mttp -133.54 83.05 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.11 114.35 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 130.7 -20.74 4.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 m -56.34 150.51 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.788 ' HB3' HD22 ' A' ' 128' ' ' LEU . 27.7 p90 -151.49 151.88 32.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.703 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.9 pp -157.44 127.08 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 64' ' ' LEU . 20.7 mm -85.17 126.92 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -118.41 124.67 48.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -61.42 141.06 57.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.8 t -71.52 119.17 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 p -90.03 81.02 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.48 -174.32 36.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.523 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -102.7 41.29 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -115.62 164.2 14.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m -121.48 -35.98 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.824 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -49.82 -40.02 40.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -113.49 87.24 11.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.486 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.75 -47.65 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.238 . . . . 0.0 112.371 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -130.05 -179.03 4.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.4 m -149.99 135.02 17.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD21 HD11 ' A' ' 113' ' ' LEU . 15.7 tp -91.03 147.84 22.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.593 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 43.7 t -133.65 97.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.77 118.11 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CB ' HD22 ' A' ' 39' ' ' LEU . 12.9 t80 -88.03 117.55 26.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.501 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 1.1 t80 -109.85 -177.88 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' PHE . 3.8 t-20 -34.54 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm 42.14 52.31 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.501 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 11.1 ptm180 -164.85 170.63 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.593 ' CG1' ' CG1' ' A' ' 65' ' ' VAL . 34.8 t -140.86 134.21 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.41 121.97 46.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.41 92.08 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.45 HG22 ' H ' ' A' ' 89' ' ' GLY . 18.9 mt -94.59 117.37 66.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 121.02 7.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.5 t -88.53 103.92 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 78' ' ' ARG . 9.9 mtm105 -84.22 158.84 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -126.67 100.57 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.428 HD12 ' H ' ' A' ' 80' ' ' ILE . 5.2 mp -76.12 88.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -46.86 -43.52 18.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.7 -39.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.3 p -118.05 4.78 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 50.8 40.78 25.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.443 ' CD ' ' HB3' ' A' ' 97' ' ' TYR . 23.9 mt-30 -124.13 176.09 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.639 ' CB ' HD11 ' A' ' 104' ' ' ILE . 85.3 m-85 -113.9 155.34 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.523 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -135.8 169.62 17.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.523 HD22 ' C ' ' A' ' 87' ' ' ALA . 4.0 mm? -117.83 137.51 52.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.45 ' H ' HG22 ' A' ' 75' ' ' ILE . . . 71.5 160.1 3.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -90.0 40.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -161.29 114.62 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -62.95 -73.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 39.16 55.09 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.47 47.34 7.43 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.507 ' OE2' ' CD1' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -90.26 162.7 15.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' A' ' 95' ' ' GLU . 9.9 tm-20 -99.97 143.78 29.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.507 ' CD1' ' OE2' ' A' ' 95' ' ' GLU . 35.4 m-85 -100.11 108.45 20.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.536 ' CD1' HG12 ' A' ' 104' ' ' ILE . 43.9 m-85 -93.42 113.85 26.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -34.14 -43.67 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 m -143.77 174.61 10.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 104' ' ' ILE . 94.5 t -62.11 -48.86 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.0 t -49.54 -44.64 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -54.24 -41.17 68.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.639 HD11 ' CB ' ' A' ' 86' ' ' TYR . 76.3 mt -52.85 -47.89 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 99.5 t -69.32 -45.89 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 109' ' ' GLN . 26.6 m-20 -56.42 -69.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -39.94 -33.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-70 -73.04 -39.03 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 106' ' ' ASN . 96.4 mt-30 -36.07 -35.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -101.11 -57.63 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' HIS . 64.6 m-20 -76.01 141.25 71.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.73 41.01 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.381 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 115' ' ' LEU . 2.4 tt -88.28 101.42 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.629 HG21 ' HE2' ' A' ' 123' ' ' LYS . 9.6 p -60.85 134.4 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 113' ' ' LEU . 19.0 mt -131.0 125.15 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.401 ' CG1' ' HD2' ' A' ' 123' ' ' LYS . 4.2 mp -117.41 109.35 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.29 108.93 11.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.2 p -43.5 -46.05 6.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -63.07 -47.25 83.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -114.65 109.9 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -65.63 79.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 77.7 p -134.63 125.83 27.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.629 ' HE2' HG21 ' A' ' 114' ' ' VAL . 2.5 tptm -88.22 82.82 7.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -103.46 109.57 21.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 89.5 p -104.95 142.92 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.9 t -150.17 134.88 17.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -79.08 143.16 35.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.788 HD22 ' HB3' ' A' ' 48' ' ' PHE . 83.9 mt -70.83 103.87 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -107.05 -44.16 4.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.459 ' CD2' ' HD3' ' A' ' 44' ' ' LYS . 3.3 m-85 -101.0 150.42 22.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -133.58 105.24 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 90.6 t -94.2 116.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -99.84 97.7 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 134' ' ' VAL . 1.5 t -45.19 -51.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 88.5 p -50.33 94.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.5 t -72.96 148.74 43.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 138.74 -147.77 19.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 169.54 18.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.6 t -170.22 157.68 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 70.5 m -68.2 -50.1 56.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t 50.51 42.07 26.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t 65.43 43.14 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.81 140.62 16.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -128.21 174.18 9.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 t -127.67 -45.43 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.0 93.69 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 172.08 13.28 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -78.43 156.1 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -43.67 106.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 73.2 m -117.93 159.71 22.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m -38.44 -59.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' ALA . 4.3 m-85 -55.86 -50.36 70.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 11' ' ' SER . . . -34.91 -51.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -56.77 15.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -45.98 -47.12 16.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.943 ' HA ' HD12 ' A' ' 20' ' ' LEU . 56.8 tt0 -47.76 -38.4 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.79 -39.34 62.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.25 28.8 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.943 HD12 ' HA ' ' A' ' 17' ' ' GLU . 19.0 mt -129.65 -31.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.64 126.15 26.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.94 -31.98 6.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 34.0 mmtt -54.9 139.09 63.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.04 31.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.457 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 27.9 p-90 -88.57 -23.72 23.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.523 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 36.9 t80 -69.35 96.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.722 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.42 -17.61 64.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 73.28 -142.51 31.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.25 43.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 111.055 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 t -82.35 160.2 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -59.75 136.38 57.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.474 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 56.9 ttp85 -53.43 -39.22 64.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -62.44 -42.67 99.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.25 -40.9 91.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -51.72 -50.74 59.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -67.1 -39.54 86.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -60.6 -61.79 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.734 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -44.03 -26.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD1' HG12 ' A' ' 65' ' ' VAL . 29.1 mt -87.23 -51.37 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -54.37 -29.11 47.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -77.33 -33.97 55.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -60.93 -49.76 76.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 64.29 45.1 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HD2' ' CE1' ' A' ' 130' ' ' TYR . 21.2 mtmm -134.65 85.04 2.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.36 125.52 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.21 -23.33 8.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 m -55.41 158.83 3.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.831 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.607 ' HB3' HD22 ' A' ' 128' ' ' LEU . 34.5 p90 -159.48 156.97 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.722 HD13 ' HB2' ' A' ' 27' ' ' ALA . 3.8 pp -161.6 134.63 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.445 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 16.0 mm -92.04 124.87 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' CZ ' ' HG3' ' A' ' 32' ' ' ARG . 19.5 ptt180 -116.38 133.83 55.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -70.89 141.16 51.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 t -51.24 169.45 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 t -71.44 -50.61 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 56' ' ' HIS . . . -110.46 39.87 2.75 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.461 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 20.6 t-160 34.51 42.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 0.0 110.825 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -53.39 156.8 2.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -80.5 -46.7 15.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -60.87 -37.03 80.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -128.35 87.15 55.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -38.14 8.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -144.1 175.34 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 75' ' ' ILE . 62.7 m -145.39 129.51 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.586 ' CD2' HD11 ' A' ' 113' ' ' LEU . 51.6 tp -81.92 146.39 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.602 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 64.2 t -132.46 96.64 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.89 121.72 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.616 ' HD1' HG22 ' A' ' 72' ' ' VAL . 44.2 t80 -91.76 116.23 28.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 124' ' ' ASP . 0.6 OUTLIER -103.58 -173.74 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -44.59 99.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm 47.78 51.52 14.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 68' ' ' PHE . 16.1 ptt180 -169.75 162.78 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.616 HG22 ' HD1' ' A' ' 67' ' ' PHE . 21.4 t -136.33 135.81 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -116.01 122.45 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.79 97.68 9.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 63' ' ' THR . 15.9 mt -96.66 131.08 28.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.657 0.741 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 133.16 24.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.4 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.7 t -104.97 79.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.07 140.76 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.44 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 16.6 t80 -99.55 112.87 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.561 HG13 ' CE2' ' A' ' 97' ' ' TYR . 9.1 mm -73.94 80.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -55.47 -40.19 71.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.23 -48.24 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.5 p -119.36 14.68 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER 53.3 41.64 32.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.429 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 75.2 mt-30 -113.2 -174.83 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.578 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 13.7 m-85 -140.91 136.79 32.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.85 ' C ' HD23 ' A' ' 88' ' ' LEU . . . -137.24 165.27 26.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.892 HD23 ' N ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -107.1 162.43 13.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 57.52 -117.42 9.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.5 mtmm -109.53 -177.54 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -93.18 133.55 36.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 93' ' ' ASN . 8.6 tptm -170.79 159.45 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.446 ' N ' ' HG3' ' A' ' 92' ' ' LYS . 87.6 m-20 -62.77 -63.88 1.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.11 -40.68 36.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -39.98 150.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -87.89 126.24 34.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE2' HG13 ' A' ' 80' ' ' ILE . 3.7 m-85 -115.93 151.32 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.546 ' CD1' HG12 ' A' ' 104' ' ' ILE . 12.3 m-85 -131.38 171.96 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.72 -29.53 35.11 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.578 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 2.2 m -156.82 172.22 19.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.751 ' HA ' HD12 ' A' ' 104' ' ' ILE . 94.4 t -57.96 -53.28 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.9 t -48.71 -43.77 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.99 -42.51 76.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 101' ' ' VAL . 44.8 mt -49.92 -45.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.409 HG13 ' CZ ' ' A' ' 48' ' ' PHE . 98.5 t -72.6 -45.29 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 109' ' ' GLN . 24.4 m-20 -63.8 -67.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -41.98 -28.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 109' ' ' GLN . 3.4 m-70 -81.18 -36.26 30.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 106' ' ' ASN . 95.7 mt-30 -34.88 -36.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 108' ' ' HIS . 12.1 m-70 -100.69 -53.14 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 108' ' ' HIS . 30.2 m-20 -79.82 138.44 53.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.49 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 53.4 Cg_endo -69.76 140.28 42.29 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.401 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.586 HD11 ' CD2' ' A' ' 64' ' ' LEU . 2.4 tt -85.38 98.0 10.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.6 p -56.75 130.35 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 44.6 mt -123.17 116.67 23.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 24.0 mt -123.67 82.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -46.17 -62.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -132.84 173.2 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -79.71 46.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -109.73 36.2 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 22.3 m120 55.46 43.16 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.7 p -114.44 103.01 10.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -120.9 95.44 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 4.6 m-20 -108.53 84.3 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.3 p -84.51 134.44 34.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 t -146.58 128.53 15.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.149 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.49 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 23.3 mtt180 -75.94 143.94 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' A' ' 48' ' ' PHE . 41.8 mt -71.71 120.93 17.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -122.82 -42.83 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.418 ' CE1' ' HD2' ' A' ' 44' ' ' LYS . 27.7 m-85 -101.74 149.4 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.3 98.02 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 86.7 t -83.36 139.44 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.93 99.65 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.734 HG23 ' HB2' ' A' ' 38' ' ' ALA . 3.1 p -58.75 163.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.406 ' H ' HG22 ' A' ' 134' ' ' VAL . 95.1 p -161.34 127.49 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.1 t -51.49 132.65 30.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -127.87 91.12 0.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.36 35.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.7 t -100.35 86.4 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 87.5 p -118.06 115.69 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -163.1 154.69 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -93.22 113.92 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.21 -153.0 47.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 m -100.49 114.67 28.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m -75.31 173.51 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.44 85.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -3.0 11.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 9' ' ' PHE . 7.6 p90 -102.69 176.34 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 11' ' ' SER . 79.1 m-20 -120.9 92.85 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 10' ' ' ASN . 74.7 m 34.34 43.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.2 m -80.26 -45.69 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -95.75 -42.34 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.47 -48.46 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.6 -47.98 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -60.32 -34.42 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' A' ' 20' ' ' LEU . 38.9 tt0 -56.5 -42.63 78.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.19 -40.8 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -81.65 12.81 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 17' ' ' GLU . 26.8 mt -125.39 -27.73 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.99 124.84 21.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.72 -36.14 4.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -41.95 136.41 2.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -7.13 20.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 15.3 p-90 -110.14 -29.99 7.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 28.5 t80 -59.44 94.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -64.79 -21.21 66.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.528 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 78.2 -152.0 37.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.18 44.5 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.9 p -70.07 179.77 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 32' ' ' ARG . 4.8 m-20 -101.01 131.63 46.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ASP . 61.1 ttp85 -34.9 -42.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 tttt -61.55 -62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.753 ' HB3' HG21 ' A' ' 134' ' ' VAL . 10.1 m -45.71 -47.64 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' HB1' HD11 ' A' ' 49' ' ' LEU . . . -50.96 -41.93 59.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.155 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' HG2' HG11 ' A' ' 72' ' ' VAL . 49.0 mt-10 -72.21 -40.75 67.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.83 -61.64 2.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -46.42 -23.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.804 HD22 ' HB2' ' A' ' 67' ' ' PHE . 17.2 mt -87.69 -45.9 9.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 27.6 m-70 -64.41 -31.17 72.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -71.61 -34.65 70.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 t -64.34 -50.82 66.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 20.4 t30 64.6 49.05 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.594 ' HD2' ' CD2' ' A' ' 130' ' ' TYR . 20.9 mttt -134.07 93.21 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.455 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 4.6 t0 -51.5 99.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.62 -13.73 2.0 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.3 m -67.69 157.64 34.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.814 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.814 ' CG ' HD22 ' A' ' 128' ' ' LEU . 35.3 p90 -153.25 148.19 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.651 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.5 pp -152.59 133.25 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.536 HD13 ' HA ' ' A' ' 64' ' ' LEU . 23.1 mm -93.02 128.31 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' NH1' ' HG3' ' A' ' 32' ' ' ARG . 19.5 ptt180 -114.65 116.8 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -68.15 135.07 51.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.7 m -70.0 -174.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -112.7 178.48 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . -51.62 -103.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -43.9 102.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 55' ' ' GLY . 11.7 p-10 -174.98 -176.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.0 p -79.16 -172.1 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -75.58 43.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.449 HE21 ' CB ' ' A' ' 76' ' ' PRO . 2.9 tt0 -106.38 99.02 21.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -38.77 7.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD2' HG21 ' A' ' 101' ' ' VAL . 24.4 m-85 -148.86 174.81 11.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.474 HG23 ' HA ' ' A' ' 76' ' ' PRO . 11.8 m -145.35 117.31 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.86 HD21 HD11 ' A' ' 113' ' ' LEU . 19.4 tp -81.79 133.3 35.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.3 101.2 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.56 112.96 24.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.804 ' HB2' HD22 ' A' ' 39' ' ' LEU . 82.6 t80 -80.18 132.27 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.1 t80 -120.0 168.93 10.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.455 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 25.7 t30 -38.11 92.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' PHE . 19.6 mmtp 59.74 46.33 11.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 49.9 mtp85 -156.85 161.14 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.49 HG11 ' HG2' ' A' ' 36' ' ' GLU . 60.6 t -138.1 120.47 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -114.79 105.27 12.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -93.82 95.95 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.631 HD11 ' CD2' ' A' ' 115' ' ' LEU . 13.3 mt -87.75 124.32 67.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.474 ' HA ' HG23 ' A' ' 63' ' ' THR . 53.6 Cg_endo -69.75 121.11 7.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 77' ' ' VAL . 96.5 t -89.44 75.36 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -58.46 145.89 37.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -113.13 111.77 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 80' ' ' ILE . 3.7 mp -86.67 118.94 33.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 83' ' ' THR . 10.8 tm-20 -72.65 -53.39 11.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -32.35 -35.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 81' ' ' GLU . 18.5 p -127.43 0.3 6.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 80' ' ' ILE . 21.8 mmmt 51.15 37.81 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -111.07 179.18 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 51.7 m-85 -122.62 132.4 54.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.45 153.56 40.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.17 134.24 34.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.06 176.21 22.62 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -175.07 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -49.7 129.57 19.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -140.58 138.87 34.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.83 106.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 55.81 70.31 1.0 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -96.91 -179.46 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -84.64 133.97 34.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -115.42 141.38 48.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 104' ' ' ILE . 10.0 m-85 -126.54 116.84 21.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -37.34 -37.58 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.556 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 3.2 m -149.24 170.21 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.953 0.406 . . . . 0.0 110.805 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.506 HG21 ' CD2' ' A' ' 62' ' ' TYR . 84.8 t -60.32 -56.25 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.8 t -40.76 -47.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.65 -46.12 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.576 ' HA ' ' CD2' ' A' ' 98' ' ' PHE . 66.4 mt -48.74 -41.6 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.46 HG13 HD13 ' A' ' 128' ' ' LEU . 95.6 t -74.53 -41.29 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 109' ' ' GLN . 43.1 m-20 -64.3 -67.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -40.58 -32.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 104' ' ' ILE . 5.2 m-70 -72.38 -39.27 68.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 106' ' ' ASN . 97.3 mt-30 -35.25 -34.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 108' ' ' HIS . 55.2 m-70 -100.33 -58.11 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -80.33 140.49 52.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.659 0.743 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 138.18 37.35 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.744 2.296 . . . . 0.0 112.321 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.86 HD11 HD21 ' A' ' 64' ' ' LEU . 2.4 tt -78.16 91.19 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.475 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 7.6 p -57.49 119.72 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.631 ' CD2' HD11 ' A' ' 75' ' ' ILE . 22.7 mt -107.47 119.93 40.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 52.0 mm -114.46 81.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 118' ' ' SER . 15.8 t0 -74.14 100.4 3.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' ASP . 12.3 t -34.25 -51.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 118' ' ' SER . 10.5 mm-40 -34.75 -49.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -132.02 137.39 47.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -76.55 48.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.1 p -107.34 103.11 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.78 99.53 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -114.5 98.76 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 55.3 p -96.06 133.01 40.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.2 t -140.05 133.1 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 -78.64 144.29 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.814 HD22 ' CG ' ' A' ' 48' ' ' PHE . 93.0 mt -69.58 107.03 3.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -113.97 -39.16 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CD2' ' HD2' ' A' ' 44' ' ' LYS . 2.2 m-85 -106.36 149.33 27.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -128.64 97.44 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 38' ' ' ALA . 96.7 t -100.73 105.03 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -98.5 131.54 44.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 34' ' ' SER . 4.1 p -81.23 159.02 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.4 t -161.96 136.11 6.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.5 t -54.8 153.13 6.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.791 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -178.95 -148.36 7.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.54 5.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.256 . . . . 0.0 112.391 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 41.2 p -145.89 145.12 30.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.6 m -125.11 163.04 23.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -73.32 142.03 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.382 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -51.43 -45.66 62.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 68.98 55.94 9.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.0 m -36.37 121.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -112.67 137.2 51.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.27 63.51 2.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.79 3.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 10' ' ' ASN . 37.1 p90 -64.22 -38.95 92.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.435 ' HB2' ' CE2' ' A' ' 9' ' ' PHE . 4.5 m120 -131.73 97.0 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 21.2 p -174.6 179.62 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.576 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -62.37 151.6 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CD1' ' HB ' ' A' ' 12' ' ' THR . 0.3 OUTLIER 49.08 25.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 11' ' ' SER . . . -97.22 -39.58 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.76 -39.73 64.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -60.78 -44.85 96.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 20' ' ' LEU . 21.8 tt0 -42.8 -33.91 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.89 84.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -83.05 13.03 4.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 17' ' ' GLU . 35.3 mt -121.17 -32.11 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.676 HD23 ' HE2' ' A' ' 26' ' ' TYR . 86.1 mt -62.92 133.62 54.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.04 -32.96 6.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -50.04 139.95 17.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -21.56 33.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -92.18 -28.95 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.676 ' HE2' HD23 ' A' ' 21' ' ' LEU . 20.3 t80 -62.9 91.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.751 ' HB1' HG12 ' A' ' 134' ' ' VAL . . . -62.72 -22.68 66.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.07 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.486 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 79.83 -154.5 37.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.54 74.93 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 t -112.63 169.49 8.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 32' ' ' ARG . 2.2 t0 -69.6 150.82 46.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 54.8 ttt-85 -60.99 -38.76 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -64.93 -51.69 60.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.434 ' C ' HG21 ' A' ' 134' ' ' VAL . 14.7 m -49.05 -52.54 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.78 -52.26 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.58 -49.55 77.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -54.68 -56.33 20.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.719 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -47.07 -26.44 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.705 HD22 ' HB2' ' A' ' 67' ' ' PHE . 24.8 mt -88.49 -51.84 5.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -55.7 -28.38 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -74.44 -39.84 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -58.42 -50.66 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 t30 65.65 44.47 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' ASP . 28.4 mtmm -133.85 83.84 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -36.74 126.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.38 -27.82 6.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 m -52.61 152.65 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.704 ' HB3' HD22 ' A' ' 128' ' ' LEU . 35.2 p90 -150.26 158.61 44.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.6 pp -160.81 133.99 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.509 HD13 ' HA ' ' A' ' 64' ' ' LEU . 22.1 mm -95.29 122.1 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -112.85 129.82 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -65.97 142.09 57.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 m -75.06 106.0 6.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.6 m -82.91 100.79 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.93 -148.79 13.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.506 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 6.7 p80 -121.35 84.49 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -164.73 147.57 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -110.78 -39.33 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.24 -35.6 7.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -115.25 85.04 12.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.56 0.695 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -41.29 4.32 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -141.7 171.89 13.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.1 m -141.29 119.52 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 50' ' ' ILE . 27.7 tp -76.76 141.65 40.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.02 98.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.64 124.79 34.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.705 ' HB2' HD22 ' A' ' 39' ' ' LEU . 74.0 t80 -90.72 114.97 27.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.2 t80 -100.29 -176.01 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.416 ' O ' ' OD1' ' A' ' 69' ' ' ASN . 16.4 p30 -49.39 87.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 68' ' ' PHE . 23.9 mmmt 62.33 39.46 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.6 mtp85 -149.37 160.21 43.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.1 t -132.65 121.56 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -113.0 116.52 30.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -98.96 100.56 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.74 HD11 HD23 ' A' ' 115' ' ' LEU . 23.7 mt -96.55 126.8 42.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.84 12.62 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.416 ' O ' HG12 ' A' ' 77' ' ' VAL . 97.4 t -94.13 76.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -59.37 146.23 40.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 2.1 t80 -116.12 121.79 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -75.71 144.23 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -102.81 -52.11 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.1 -35.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.2 p -130.47 19.94 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt 38.82 48.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.606 ' NE2' ' CG ' ' A' ' 97' ' ' TYR . 24.8 mt-30 -109.29 -174.81 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 72.0 m-85 -127.5 161.95 27.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.633 ' HB1' ' CD ' ' A' ' 95' ' ' GLU . . . -160.61 -175.54 5.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 89' ' ' GLY . 2.5 mp -129.79 173.22 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . 49.2 179.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -95.77 -20.8 18.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -104.65 80.59 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -79.32 13.59 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' LYS . 2.6 t-20 -35.3 93.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . 55.75 54.4 35.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.633 ' CD ' ' HB1' ' A' ' 87' ' ' ALA . 3.3 pt-20 -101.15 176.87 5.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -84.51 125.45 32.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.606 ' CG ' ' NE2' ' A' ' 85' ' ' GLN . 56.4 m-85 -88.79 154.57 20.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.583 ' CD1' HG12 ' A' ' 104' ' ' ILE . 12.7 m-85 -131.21 112.23 12.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -38.43 -34.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.551 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 3.1 m -148.62 177.4 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.896 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.8 t -67.48 -45.45 85.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.192 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.6 t -50.26 -46.29 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -53.14 -39.7 63.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.583 HG12 ' CD1' ' A' ' 98' ' ' PHE . 83.0 mt -54.13 -41.85 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.1 t -80.67 -49.09 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -52.72 -51.75 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.12 -44.14 89.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.4 OUTLIER -57.78 -41.62 82.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 108' ' ' HIS . 22.8 mt-30 -34.43 -45.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -93.49 -58.68 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -72.0 133.24 84.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.629 0.728 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.14 49.95 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.516 HD22 ' CD2' ' A' ' 108' ' ' HIS . 45.3 tp -107.4 86.22 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.442 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 6.0 p -39.06 141.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 75' ' ' ILE . 8.8 mt -126.03 122.15 35.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 22.0 mt -130.43 97.96 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.83 40.27 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.5 m -144.17 -177.98 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -86.31 -31.93 21.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 121' ' ' ASN . 3.5 t30 -84.97 37.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 120' ' ' ASN . 2.9 m120 34.45 40.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.6 p -45.95 107.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -93.47 82.86 4.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.529 ' O ' HD12 ' A' ' 115' ' ' LEU . 26.6 m-20 -108.22 89.6 3.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.442 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 54.2 p -93.03 134.86 34.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.7 t -144.96 146.16 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -93.19 141.36 28.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' A' ' 48' ' ' PHE . 61.9 mt -64.97 117.97 8.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -118.2 -42.04 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.471 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 12.1 m-85 -108.62 155.54 20.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.11 99.02 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.3 t -90.9 139.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -114.8 118.65 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.751 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.0 p -79.34 140.62 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.9 m -151.0 -178.09 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.0 t -127.35 102.12 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -136.35 -74.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 140' ' ' SER . 53.8 Cg_endo -69.78 2.65 3.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.317 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 27.4 m -46.43 90.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 138' ' ' PRO . 50.6 m 61.12 41.13 14.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -136.9 147.07 46.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -113.18 150.15 32.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.14 76.74 0.59 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 m -111.35 83.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -97.09 124.68 41.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.1 -116.66 1.29 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 0.81 5.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.355 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -62.08 163.29 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 65.09 42.17 4.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -104.52 108.51 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.9 m -104.7 -55.9 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.086 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -91.11 -46.5 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.92 -49.06 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -55.61 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -44.3 -43.23 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HA ' HD12 ' A' ' 20' ' ' LEU . 8.2 tt0 -48.68 -39.7 25.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.12 -42.52 63.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -92.3 20.85 5.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 17' ' ' GLU . 33.9 mt -125.5 -30.85 3.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.702 HD23 ' HE2' ' A' ' 26' ' ' TYR . 75.7 mt -63.46 126.93 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.57 -32.9 6.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -48.27 141.99 8.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.59 31.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -94.62 -27.51 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.702 ' HE2' HD23 ' A' ' 21' ' ' LEU . 34.1 t80 -65.35 95.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.34 -17.2 63.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.526 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 78.2 -151.45 36.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.22 46.21 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 p -70.03 -178.65 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' ARG . 1.9 m-20 -101.04 136.57 40.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' ASP . 65.6 ttt180 -36.34 -45.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -64.99 -62.76 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -49.21 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.19 -52.51 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.44 -43.3 96.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.59 -47.57 85.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.89 -28.55 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.67 HD22 ' CB ' ' A' ' 67' ' ' PHE . 30.6 mt -82.71 -56.24 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.569 ' CE1' HG23 ' A' ' 72' ' ' VAL . 39.7 m-70 -56.83 -33.32 66.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -70.95 -35.29 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -61.32 -49.14 78.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 66.06 42.39 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -129.55 83.72 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.92 130.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.92 -24.05 20.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.484 ' HB3' HG23 ' A' ' 132' ' ' VAL . 22.9 m -52.17 153.92 2.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 128' ' ' LEU . 34.6 p90 -154.07 156.91 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.827 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.3 pp -160.09 135.34 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.2 mm -92.1 123.33 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -114.8 123.44 49.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -61.09 140.07 57.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' SER . 45.5 t -61.23 122.85 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' SER . 6.3 t -36.26 -64.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.7 74.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -121.78 -55.62 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -143.1 176.56 9.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' LYS . 91.7 p -91.86 -45.04 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' SER . 11.6 mptt -35.21 -39.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -110.68 85.29 4.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.449 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 54.0 Cg_endo -69.77 -44.65 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.376 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 14.2 m-85 -138.24 177.51 7.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 75' ' ' ILE . 95.3 m -147.39 138.15 23.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.2 tp -94.65 140.23 30.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 39' ' ' LEU . 60.0 t -127.31 98.86 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.04 115.32 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.67 ' CB ' HD22 ' A' ' 39' ' ' LEU . 50.9 t80 -83.56 114.95 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' LYS . 1.5 t80 -101.29 177.65 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -44.21 90.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' PHE . 12.9 mmmt 59.98 40.28 19.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -146.85 167.24 24.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 40' ' ' HIS . 40.9 t -145.91 117.79 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -109.36 127.06 54.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -105.27 100.98 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.675 ' O ' HG23 ' A' ' 63' ' ' THR . 28.5 mt -100.66 124.99 40.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.643 0.735 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.19 17.14 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.568 HG12 ' HD2' ' A' ' 86' ' ' TYR . 58.0 t -100.24 78.58 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -62.71 164.65 7.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.402 ' HD2' ' CE1' ' A' ' 86' ' ' TYR . 31.8 t80 -131.97 119.82 21.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -93.21 122.52 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -76.54 -36.35 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -38.71 -38.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.4 p -131.26 5.89 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm 55.79 39.17 30.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.506 HE21 ' N ' ' A' ' 99' ' ' GLY . 21.5 mt-30 -114.36 177.74 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.675 ' HB3' HD11 ' A' ' 104' ' ' ILE . 36.1 m-85 -115.95 152.59 33.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -139.29 148.69 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.088 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 88' ' ' LEU . 3.9 mm? -95.45 137.07 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.8 -166.39 3.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -58.74 149.5 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' C ' ' HE2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -58.38 -174.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 93' ' ' ASN . 46.9 tttp -175.24 151.58 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 92' ' ' LYS . 20.9 t-20 -36.04 -52.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -122.86 38.91 2.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.94 154.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -80.34 137.86 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.438 ' HB3' ' CD ' ' A' ' 85' ' ' GLN . 89.5 m-85 -115.6 136.57 52.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 104' ' ' ILE . 71.9 m-85 -122.13 122.2 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.506 ' N ' HE21 ' A' ' 85' ' ' GLN . . . -35.56 -40.75 0.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.561 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 1.9 m -162.26 177.05 9.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.97 0.414 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.0 t -57.1 -43.95 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.9 t -56.24 -40.67 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -46.35 91.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.675 HD11 ' HB3' ' A' ' 86' ' ' TYR . 96.4 mt -48.76 -54.15 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.44 -54.87 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -45.9 -63.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -57.51 -36.94 72.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -61.74 -41.16 97.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 108' ' ' HIS . 97.5 mt-30 -35.85 -43.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -99.03 -40.86 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -86.63 128.68 55.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.04 52.88 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' VAL . 28.4 tp -104.8 88.65 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.477 ' HA ' ' CB ' ' A' ' 125' ' ' SER . 88.8 t -33.77 119.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 93.8 mt -110.75 75.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.44 HG13 HG12 ' A' ' 114' ' ' VAL . 36.5 mt -95.22 124.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -125.53 -54.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.0 m -70.38 152.13 44.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 120' ' ' ASN . 62.7 mm-40 -49.57 -54.26 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 119' ' ' GLN . 2.2 m120 -37.3 156.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -81.64 41.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.3 t -73.18 137.14 44.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -121.6 92.76 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -97.68 27.51 4.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 3.6 p -48.02 146.28 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 t -152.06 143.15 23.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.162 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -90.52 132.12 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 48' ' ' PHE . 27.7 mt -54.59 121.25 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -120.88 -41.58 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -108.91 152.9 24.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -126.09 94.15 4.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' A' ' 47' ' ' SER . 85.1 t -80.92 145.11 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -123.81 150.51 44.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.38 146.85 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.8 m -175.59 160.21 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 45.8 p -124.94 42.47 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -53.17 -96.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 85.44 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.3 p -152.62 160.1 43.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 26.3 p -69.54 136.81 51.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.442 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -143.33 128.93 19.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -110.81 138.94 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.925 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.84 -139.95 2.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.1 p -104.98 95.09 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -138.93 143.65 38.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.23 145.9 18.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 160.88 48.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -72.36 -49.79 31.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -89.68 148.2 23.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.4 p -108.69 109.54 20.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.1 m -106.87 -53.31 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.089 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -68.48 -48.72 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.01 -54.28 1.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.12 -47.83 17.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -60.42 -39.11 86.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.655 ' HA ' HD12 ' A' ' 20' ' ' LEU . 21.0 tt0 -51.89 -41.36 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.49 66.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -95.39 19.42 10.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 17' ' ' GLU . 26.1 mt -121.48 -32.86 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.455 HD23 ' CE2' ' A' ' 26' ' ' TYR . 84.5 mt -64.89 130.13 42.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.84 -35.77 4.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 56.1 mmtt -43.07 137.99 2.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.558 0.694 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -5.15 15.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.469 ' CZ2' ' HG3' ' A' ' 23' ' ' LYS . 24.2 p-90 -111.06 -22.48 11.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.529 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 44.1 t80 -66.38 98.06 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.877 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -68.31 -20.17 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.529 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 72.62 -167.46 53.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.82 75.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 111.084 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.24 161.62 20.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -75.84 150.33 37.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -52.22 -42.94 63.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -51.41 -60.22 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.709 ' HB3' HG21 ' A' ' 134' ' ' VAL . 14.7 m -47.87 -50.4 26.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.39 75.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' HG2' HG11 ' A' ' 72' ' ' VAL . 35.3 mt-10 -65.97 -37.66 86.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -65.36 -58.05 6.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.39 -25.43 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 67' ' ' PHE . 50.5 mt -84.85 -54.24 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.451 ' NE2' HG23 ' A' ' 72' ' ' VAL . 25.7 m-70 -56.69 -30.69 63.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 42' ' ' SER . 6.0 ptm180 -71.67 -31.8 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 9.9 t -64.19 -51.52 63.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 t30 67.09 39.91 3.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.562 ' HE3' ' CD2' ' A' ' 130' ' ' TYR . 29.3 mtmt -134.9 88.25 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.474 ' HB2' ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -42.81 115.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 134.74 -22.12 3.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.9 m -60.56 147.23 42.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.727 ' HB3' HD22 ' A' ' 128' ' ' LEU . 34.5 p90 -143.14 159.77 41.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.877 HD13 ' HB2' ' A' ' 27' ' ' ALA . 1.3 pp -167.48 127.28 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.65 HD13 ' HA ' ' A' ' 64' ' ' LEU . 19.9 mm -90.19 133.03 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -118.59 124.78 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' SER . 20.0 ttmm -63.03 135.7 57.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' LYS . 54.6 p -34.56 150.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -134.2 -55.78 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -67.91 -157.41 0.91 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -103.94 88.75 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.819 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.19 -178.12 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.402 ' O ' ' HE2' ' A' ' 59' ' ' LYS . 71.0 m -115.89 -75.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HE2' ' O ' ' A' ' 58' ' ' SER . 6.8 mmpt? -101.69 50.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -134.71 83.2 42.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 53.8 Cg_endo -69.8 -36.25 11.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.518 ' CD2' ' HB2' ' A' ' 61' ' ' PRO . 22.0 m-85 -148.82 176.81 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.605 ' HA ' HG23 ' A' ' 77' ' ' VAL . 95.2 m -148.87 131.03 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.65 ' HA ' HD13 ' A' ' 50' ' ' ILE . 10.3 tp -91.73 131.02 37.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.8 t -118.03 103.1 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.46 115.65 28.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.573 ' CB ' HD22 ' A' ' 39' ' ' LEU . 37.1 t80 -83.58 133.21 34.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -121.07 166.81 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.474 ' N ' ' HB2' ' A' ' 45' ' ' ASP . 11.1 t-20 -37.09 93.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' PHE . 4.6 mmmm 58.68 47.47 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.439 ' HG3' ' C ' ' A' ' 70' ' ' LYS . 87.7 mtt-85 -155.47 171.48 19.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.471 HG11 ' HG2' ' A' ' 36' ' ' GLU . 60.2 t -150.06 119.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -113.84 118.98 35.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -100.33 97.89 8.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.83 HD11 HD23 ' A' ' 115' ' ' LEU . 22.8 mt -92.03 126.24 53.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.65 23.77 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' HA ' ' A' ' 63' ' ' THR . 47.7 t -103.29 79.8 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -69.11 145.63 53.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 50.8 t80 -110.67 126.75 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.556 HG12 ' CE2' ' A' ' 97' ' ' TYR . 5.3 mp -95.31 112.81 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' ALA . 26.6 tt0 -67.95 -39.08 83.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 81' ' ' GLU . . . -36.3 -47.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' LYS . 22.7 p -132.81 31.68 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 9.3 mmpt? 36.76 44.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -106.68 175.37 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.58 ' HB3' HD11 ' A' ' 104' ' ' ILE . 50.6 m-85 -124.39 143.17 50.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.464 ' C ' HD22 ' A' ' 88' ' ' LEU . . . -132.36 164.43 26.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.542 ' CD1' HG22 ' A' ' 77' ' ' VAL . 4.0 mm? -118.79 149.07 42.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.29 -176.47 54.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -125.88 37.03 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 92' ' ' LYS . 5.0 tppp? -153.35 105.17 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 95' ' ' GLU . 38.4 tttp -34.12 -43.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -43.54 93.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . 99.65 -28.12 16.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 94' ' ' GLY . 20.9 mt-10 -32.49 128.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 21.8 tt0 -107.72 117.19 33.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.556 ' CE2' HG12 ' A' ' 80' ' ' ILE . 2.6 m-85 -89.8 127.3 35.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CD1' HG12 ' A' ' 104' ' ' ILE . 14.7 m-85 -123.57 168.36 12.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.79 -37.85 66.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.569 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 2.5 m -155.25 174.91 14.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.424 HG23 ' CE2' ' A' ' 86' ' ' TYR . 91.7 t -59.7 -53.03 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.2 t -45.87 -46.57 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.64 -47.32 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.581 HG12 ' CD1' ' A' ' 98' ' ' PHE . 96.1 mt -46.5 -43.89 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 128' ' ' LEU . 94.2 t -77.72 -55.87 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -42.46 -54.23 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -65.26 -49.39 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -50.15 -40.51 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' HIS . 73.4 mt-30 -37.04 -42.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.43 ' O ' ' CD ' ' A' ' 127' ' ' ARG . 72.7 m-70 -101.15 -43.64 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.441 ' C ' ' HG2' ' A' ' 127' ' ' ARG . 3.7 m-20 -81.09 134.32 52.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.15 44.34 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.536 ' CD2' HD21 ' A' ' 64' ' ' LEU . 41.4 tp -110.3 87.43 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 114' ' ' VAL . 2.1 t -42.41 146.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.83 HD23 HD11 ' A' ' 75' ' ' ILE . 3.5 mt -132.37 86.87 2.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.02 97.3 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.28 111.74 2.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.6 p -48.6 143.71 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 55.6 38.36 30.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -169.24 132.96 1.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -81.37 74.97 8.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.2 p -132.85 100.28 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -102.47 51.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -84.08 122.41 28.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.413 ' CB ' ' HA ' ' A' ' 114' ' ' VAL . 24.4 p -112.28 146.32 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.831 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -148.27 146.76 28.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.441 ' HG2' ' C ' ' A' ' 111' ' ' ASN . 27.1 mtm180 -94.94 138.95 32.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.727 HD22 ' HB3' ' A' ' 48' ' ' PHE . 28.6 mt -58.56 117.53 4.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -117.27 -38.75 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.562 ' CD2' ' HE3' ' A' ' 44' ' ' LYS . 3.8 m-85 -111.11 150.95 28.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -123.85 98.59 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.054 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 87.2 t -103.25 119.28 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -112.38 136.02 52.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.709 HG21 ' HB3' ' A' ' 34' ' ' SER . 8.0 p -86.62 139.79 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 15.7 t -160.75 129.99 4.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.8 t -162.15 174.67 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 153.84 156.55 7.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.46 11.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.2 m -112.07 170.89 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 98.9 p -134.28 118.15 17.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -140.27 130.11 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -54.69 109.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.1 -60.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -103.47 137.28 41.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.891 0.377 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -85.47 143.44 28.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.19 -176.59 16.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 108.95 2.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -59.19 153.95 17.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -55.07 121.18 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -90.12 46.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 m -48.69 -63.04 1.2 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ASP . 8.5 m-85 -42.72 -56.06 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 13' ' ' PHE . . . -33.19 -34.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' PHE . 65.1 m-20 -75.25 -64.62 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -50.54 -36.79 35.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.786 ' HA ' HD12 ' A' ' 20' ' ' LEU . 19.0 tt0 -50.41 -18.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.1 -25.19 61.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 2.6 pt-20 -98.16 10.89 39.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 17' ' ' GLU . 19.9 mt -115.49 -29.11 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.7 mt -69.26 123.85 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.34 -27.98 11.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 52.6 mmtt -56.26 137.21 74.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -17.67 37.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.554 ' HH2' HD23 ' A' ' 20' ' ' LEU . 30.6 p-90 -96.72 -14.07 22.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.529 ' CZ ' ' HA2' ' A' ' 28' ' ' GLY . 26.4 t80 -77.04 93.95 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB2' HD13 ' A' ' 49' ' ' LEU . . . -65.72 -16.85 64.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.529 ' HA2' ' CZ ' ' A' ' 26' ' ' TYR . . . 80.52 -124.52 6.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.78 38.81 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.425 ' SG ' HG13 ' A' ' 134' ' ' VAL . 10.0 m -80.03 157.65 26.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -61.69 151.33 34.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -62.6 -46.42 88.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -50.52 -58.19 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m -47.24 -46.59 24.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.55 -39.64 49.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -71.07 -39.35 72.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -66.2 -50.46 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.63 ' HB2' HG23 ' A' ' 134' ' ' VAL . . . -55.98 -33.47 64.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 67' ' ' PHE . 33.5 mt -80.62 -37.24 31.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -68.97 -32.42 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 42' ' ' SER . 4.0 ptt-85 -71.41 -30.04 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 23.3 t -61.03 -51.84 67.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t30 66.03 39.64 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.476 ' HD2' ' CE2' ' A' ' 130' ' ' TYR . 25.1 mtmt -132.0 87.5 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.39 105.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 141.37 -13.79 2.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -62.84 164.41 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 130' ' ' TYR . 30.7 p90 -164.75 154.55 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.7 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.5 pp -159.4 130.95 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.471 HG13 ' CZ3' ' A' ' 25' ' ' TRP . 22.0 mm -91.13 113.02 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -104.46 140.14 38.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -80.94 137.02 36.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.3 t -48.65 126.27 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.9 p -49.2 -54.63 15.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.55 -158.28 11.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -123.07 102.18 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -144.07 145.85 32.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.0 m -85.3 -33.29 22.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -45.78 85.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -121.15 86.29 42.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -43.28 2.74 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.303 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -140.44 172.63 12.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.0 m -141.75 131.38 24.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.55 HD21 HD11 ' A' ' 113' ' ' LEU . 9.4 tp -92.17 140.7 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.529 HG12 ' CD1' ' A' ' 39' ' ' LEU . 45.5 t -126.7 98.72 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.99 116.62 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.602 ' HB2' HD22 ' A' ' 39' ' ' LEU . 79.1 t80 -82.92 118.38 23.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CZ ' ' OD2' ' A' ' 124' ' ' ASP . 1.5 t80 -104.64 177.32 4.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.06 91.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 68' ' ' PHE . 4.9 mmmm 60.89 38.17 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -149.74 163.9 36.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -137.37 124.4 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -116.82 111.22 19.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.957 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -96.33 94.34 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.482 HD11 ' CD2' ' A' ' 115' ' ' LEU . 12.1 mt -90.72 131.68 37.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 135.18 29.77 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.68 2.254 . . . . 0.0 112.353 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.3 t -107.6 78.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -66.53 156.33 35.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 84' ' ' LYS . 61.1 t80 -122.09 115.76 23.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 80' ' ' ILE . 4.0 mp -89.47 88.03 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -47.41 -39.96 16.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.83 -34.64 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.8 p -123.18 4.23 9.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 79' ' ' PHE . 36.1 mmtm 52.46 36.03 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -120.79 -178.05 3.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.535 ' CD1' ' HA ' ' A' ' 100' ' ' SER . 4.5 m-85 -130.54 138.58 50.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.36 169.87 9.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.428 ' N ' HD22 ' A' ' 88' ' ' LEU . 3.8 mm? -105.95 138.72 41.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.46 -172.46 55.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -104.6 -18.31 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.361 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -175.15 137.02 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -173.0 141.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -59.6 142.56 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 45.77 49.8 12.16 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.16 124.46 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -78.64 142.4 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -99.69 174.16 6.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.472 ' CD1' HG12 ' A' ' 104' ' ' ILE . 89.1 m-85 -153.97 127.13 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' PHE . . . -35.93 -52.74 1.19 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.535 ' HA ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 m -151.83 -177.28 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 0.0 110.848 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.647 ' HB ' HD21 ' A' ' 20' ' ' LEU . 56.9 t -56.39 -58.35 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.078 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.7 t -46.69 -42.95 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.93 -41.96 79.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.472 HG12 ' CD1' ' A' ' 98' ' ' PHE . 81.5 mt -57.52 -34.55 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.479 HG13 HD13 ' A' ' 128' ' ' LEU . 85.4 t -82.43 -53.17 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -54.38 -31.17 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.3 m -74.52 -36.44 63.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.575 ' HB2' HD12 ' A' ' 128' ' ' LEU . 5.7 m-70 -73.48 -26.31 60.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -42.35 -39.28 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -100.18 -51.63 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -82.63 140.24 44.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.48 ' N ' ' HG2' ' A' ' 127' ' ' ARG . 54.0 Cg_endo -69.7 142.05 47.16 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.738 2.292 . . . . 0.0 112.342 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.55 HD11 HD21 ' A' ' 64' ' ' LEU . 2.5 tt -91.05 90.19 7.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 124' ' ' ASP . 3.5 p -56.02 134.53 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 75' ' ' ILE . 7.3 mt -121.37 108.51 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.3 mt -114.08 91.48 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' SER . 19.9 p-10 -105.67 35.34 2.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' ASP . 38.5 m 36.63 44.61 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -122.3 -55.98 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 121' ' ' ASN . 85.3 m-20 -94.97 -7.08 40.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 120' ' ' ASN . 66.7 m-20 35.48 34.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 120' ' ' ASN . 1.0 OUTLIER -115.16 1.88 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt 54.85 48.89 19.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.545 ' OD2' ' CZ ' ' A' ' 68' ' ' PHE . 10.8 t0 -54.04 171.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.1 p -170.64 148.05 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 126' ' ' THR . 12.5 t -158.38 128.43 5.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 112' ' ' PRO . 45.6 mtt180 -79.21 144.26 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.575 HD12 ' HB2' ' A' ' 108' ' ' HIS . 14.9 mt -71.56 126.25 29.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -130.35 -41.8 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 15.6 m-85 -102.07 154.63 18.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -132.54 95.66 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.3 t -87.31 135.77 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -113.13 113.08 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' A' ' 38' ' ' ALA . 3.6 p -71.28 150.33 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.5 p -152.92 137.33 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.4 p -50.03 161.9 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -164.1 -94.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 132.26 22.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 58.5 m -146.19 132.53 19.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.5 m -106.63 -55.54 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.972 . . . . . . . . 0 0 . 1 stop_ save_