data_2lfm_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 2lfm _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 ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.949 0.404 . . . . 74.35 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -115.89 -33.93 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.877 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -130.0 130.15 44.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 74.02 110.849 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -117.52 45.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.848 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -173.07 150.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 71.51 110.85 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.4 m -64.3 172.7 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.896 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.76 -80.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 64.25 112.496 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -152.28 171.61 17.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 74.35 110.953 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -79.3 -11.07 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 71.54 110.865 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -51.42 113.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.1 111.177 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -74.26 -21.66 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -58.35 -25.41 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.841 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -75.72 -6.28 49.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 72.41 110.946 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -51.69 -24.99 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.02 110.921 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.66 24.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.92 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.75 -20.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 74.3 111.112 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.71 -29.86 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 64.45 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.65 -29.71 18.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 62.42 110.871 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.84 -24.29 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 75.01 111.09 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -79.15 -23.27 44.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -87.1 51.88 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.889 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.1 m -79.3 -29.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 64.41 111.154 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.75 162.24 25.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 74.51 112.506 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -125.85 124.99 42.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.372 . . . . 51.41 110.875 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -65.08 144.2 57.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 70.21 110.882 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -73.09 -52.49 14.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.889 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.76 112.77 0.6 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.76 . . . . 64.34 112.476 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.46 30.0 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 73.44 111.058 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.0 pt -55.29 -26.54 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 63.21 111.148 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.53 -31.01 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 72.34 111.107 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.34 111.68 3.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 64.11 112.538 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.0 -32.83 74.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 73.11 110.912 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.5 mmm -137.08 162.3 33.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 74.45 110.909 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.6 t -115.43 141.43 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 52.3 111.145 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.16 -20.61 54.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 75.25 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.16 -36.4 56.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 62.12 112.477 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.0 m -105.39 -25.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 74.44 111.113 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 71.42 111.163 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.833 0.349 . . . . 75.2 110.917 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -84.37 -171.14 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.881 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -52.81 107.89 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.838 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -72.28 -27.13 62.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.884 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -65.01 177.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -87.2 -52.78 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 75.53 110.904 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.51 -62.23 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 55.42 112.468 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -149.17 171.03 17.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 73.04 110.885 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -79.33 -21.03 46.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 73.51 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.3 p -51.2 114.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.13 111.1 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -67.43 -22.18 65.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 72.55 110.827 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -58.32 -22.39 52.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 74.54 110.83 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -75.31 -6.4 49.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 71.1 110.933 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -25.02 6.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.898 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -20.62 25.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.63 -20.6 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.32 111.142 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.71 -30.0 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.864 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.48 -29.76 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 73.13 110.867 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.7 -25.73 18.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 74.03 111.091 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -77.41 -26.22 51.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.911 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -101.62 36.32 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.866 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.5 m -78.85 -27.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 73.2 111.142 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.78 107.22 0.69 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 42.31 112.446 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -90.58 160.05 16.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 65.42 110.86 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -75.87 -179.01 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.51 110.899 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.24 -30.7 13.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.888 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.35 -65.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 74.31 112.469 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.97 30.09 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.713 0.292 . . . . 75.23 111.102 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 pt -58.18 -26.6 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.8 mt -56.56 -31.36 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.54 111.127 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.5 139.79 15.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 75.43 112.484 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.44 -36.99 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 73.11 110.937 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.83 154.85 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 63.14 110.898 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.89 152.89 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 62.3 111.099 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.4 -20.07 49.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 74.35 112.492 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.02 -28.86 69.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 62.43 112.502 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.9 m -81.03 -31.86 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 74.14 111.12 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.21 111.108 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.851 0.357 . . . . 73.01 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -114.15 -170.24 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 75.22 110.832 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 151.71 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 73.45 110.872 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -75.83 -71.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 75.41 110.873 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -156.97 174.79 14.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.5 110.85 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -64.21 132.02 49.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.832 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.38 -33.32 2.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.77 . . . . 74.31 112.439 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -111.8 171.59 7.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 75.25 110.945 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -79.26 -11.06 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 64.51 110.852 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.53 113.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 74.23 111.091 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -79.2 -22.33 45.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.891 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -58.39 -25.45 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 72.21 110.854 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -75.71 -6.29 49.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 74.25 110.901 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -51.68 -25.02 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.905 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.7 24.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 75.32 110.932 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.59 -20.64 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 75.11 111.149 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.61 -30.07 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.83 17.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 74.42 110.904 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.19 -24.88 17.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 63.53 111.125 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -77.39 -26.25 51.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 63.22 110.895 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -101.53 36.52 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.22 110.871 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -79.09 -25.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.148 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.34 149.69 16.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.746 . . . . 70.33 112.446 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.2 p -109.38 163.96 12.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 74.33 110.849 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -116.54 173.93 6.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 71.4 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -79.11 -55.86 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 74.03 110.92 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.01 124.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 74.14 112.521 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.43 37.49 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 60.13 111.12 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 pt -55.77 -30.29 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 73.23 111.089 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.8 mt -71.88 -28.36 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.14 111.129 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.66 123.68 7.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 71.55 112.503 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -51.74 60.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 74.22 110.893 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -137.87 154.92 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 71.13 110.851 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.0 t -107.24 144.63 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 72.35 111.129 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.07 -31.83 59.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.709 . . . . 74.22 112.453 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.58 -26.12 74.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 70.14 112.443 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.4 t -89.59 -25.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 72.44 111.078 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.179 179.908 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.872 0.367 . . . . 75.44 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -70.52 -178.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 75.2 110.945 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -55.31 108.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.871 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -109.28 29.55 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 74.35 110.842 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -128.87 166.68 18.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.41 110.914 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -54.42 168.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 35.55 110.877 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.61 -90.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 73.55 112.506 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -143.24 171.6 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 74.12 110.937 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.22 -11.08 59.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 72.14 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -51.47 113.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 71.51 111.111 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -75.95 -21.72 56.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.816 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -58.35 -25.43 61.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 73.55 110.917 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -75.75 -6.2 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -51.74 -24.96 6.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.11 110.909 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.75 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.924 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.54 -20.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.53 111.137 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.63 -30.03 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 70.24 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.39 -29.88 17.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.54 110.89 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.44 -25.08 17.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 75.24 111.114 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -77.57 -26.34 50.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 74.4 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.18 36.44 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 61.14 110.867 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.2 m -79.19 -25.72 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 74.25 111.158 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.47 157.07 22.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.754 . . . . 70.35 112.473 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -114.85 142.03 47.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 75.42 110.827 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -86.03 155.7 20.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 75.13 110.904 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -82.33 -48.66 10.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 75.55 110.913 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.26 -79.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 71.23 112.442 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.74 44.96 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 73.33 111.05 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.8 pt -76.43 -27.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 65.22 111.133 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.85 -26.89 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 73.3 111.152 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.67 119.7 6.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 51.1 112.462 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.57 -51.05 71.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 75.41 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.8 mmt -136.82 161.51 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 60.12 110.833 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 t -114.32 142.47 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.21 111.093 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.5 -19.62 54.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 42.35 112.482 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.55 -23.44 73.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 74.41 112.506 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 m -112.72 -27.36 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 74.24 111.146 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 74.33 111.129 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.842 0.353 . . . . 75.13 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -90.84 -32.15 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.53 110.864 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -52.15 123.6 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 70.23 110.874 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -117.54 178.49 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.887 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -73.79 -64.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -150.01 156.25 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.856 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.56 -98.42 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 64.2 112.479 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -165.86 171.56 12.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 72.42 110.877 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -79.21 -10.58 59.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 72.25 110.871 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.54 113.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 74.05 111.128 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -67.01 -22.46 65.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.922 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -58.38 -24.45 59.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.54 110.83 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.6 -6.34 49.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.936 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -24.98 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.902 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -20.73 25.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 72.41 110.862 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.61 -20.62 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.158 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.62 -30.0 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.909 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.45 -29.79 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.887 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.98 -25.52 17.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 74.44 111.086 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -77.37 -26.33 51.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 72.31 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.46 31.76 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.856 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.4 m -67.35 -30.68 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 75.44 111.162 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.28 101.28 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 73.32 112.494 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 t -169.7 165.4 10.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.389 . . . . 72.14 110.822 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m120 60.1 48.49 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 75.22 110.923 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.12 -25.59 67.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.911 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.19 -43.9 0.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 70.13 112.488 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.65 40.9 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 74.52 111.106 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.6 pt -69.27 -27.36 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.25 111.168 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.23 -29.75 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.164 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.11 115.1 1.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 64.12 112.484 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.9 -27.44 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.79 0.329 . . . . 75.35 110.907 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.9 mtp -137.11 164.34 28.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 70.11 110.847 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.6 138.87 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 75.43 111.151 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.52 -21.06 79.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 74.53 112.502 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.77 -27.71 28.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 71.33 112.465 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.39 -32.54 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 74.34 111.159 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 73.34 111.137 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.863 0.363 . . . . 73.24 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -124.07 163.81 20.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.902 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 146.29 33.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.89 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -128.12 105.43 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 70.15 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -166.35 164.42 17.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 72.4 110.89 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t -96.48 105.12 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 70.32 110.867 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.73 -66.72 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 73.02 112.497 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -123.83 171.62 9.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.35 . . . . 71.51 110.924 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -11.18 59.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 75.43 110.879 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.47 113.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.14 111.093 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -73.28 -22.5 60.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.871 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -58.22 -22.84 53.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.827 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -75.57 -6.37 49.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 64.24 110.893 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -24.98 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 73.53 110.95 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -20.59 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.967 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.64 -20.64 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 72.42 111.158 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.62 -30.02 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.88 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.84 17.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 73.12 110.868 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.16 -33.34 26.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 73.34 111.143 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -74.58 -26.32 59.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 61.52 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.49 41.46 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.917 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.77 -26.84 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.161 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.3 147.8 19.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 73.24 112.496 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -111.73 149.03 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 73.21 110.868 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -112.33 139.54 47.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 62.44 110.915 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -69.82 -32.56 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.934 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.66 116.48 0.77 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 70.52 112.485 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.45 32.39 6.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 72.12 111.049 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.0 pt -66.5 -27.06 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 63.03 111.119 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.5 mt -54.31 -28.61 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 73.42 111.1 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.8 123.44 6.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 32.13 112.493 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.5 tp -55.28 -35.77 65.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 74.42 110.913 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -143.35 157.3 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.13 110.938 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 t -105.63 132.08 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 75.33 111.119 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.53 -22.18 74.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 61.24 112.517 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.6 -39.91 54.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 61.51 112.497 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.9 m -88.59 -27.84 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 73.2 111.156 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 74.21 111.136 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.913 0.387 . . . . 74.35 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -103.99 -30.61 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 75.41 110.878 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -52.08 124.23 12.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 71.42 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -154.44 173.36 16.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.884 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -56.14 155.26 6.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.823 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.4 p -55.16 107.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 70.45 110.84 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.21 -63.28 5.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 32.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -162.04 171.59 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 75.43 110.916 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.17 -11.02 59.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 74.45 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -51.42 113.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.103 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -65.93 -23.29 66.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 62.42 110.866 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -59.87 -20.64 58.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 75.21 110.836 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -75.46 -6.38 49.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 71.25 110.89 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -24.97 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 64.51 110.884 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -20.67 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.01 110.876 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.63 -20.64 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 75.34 111.134 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.69 -29.93 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.843 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.5 -29.83 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.15 110.911 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.52 -26.39 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 74.14 111.089 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -77.26 -25.94 52.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 75.41 110.918 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -101.89 34.32 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.887 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 m -79.12 -28.4 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 60.55 111.177 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.99 130.0 10.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 61.02 112.514 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.7 m -113.47 109.51 18.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 73.01 110.85 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -54.18 124.47 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.834 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -58.27 -49.02 78.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.863 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.73 93.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 64.02 112.497 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.2 40.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 73.22 111.119 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 pt -55.78 -25.96 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.136 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -78.42 -37.37 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 75.32 111.13 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.25 124.18 7.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 73.33 112.476 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.96 -45.47 20.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.768 0.318 . . . . 73.33 110.91 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -150.28 160.8 43.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.882 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -126.95 165.68 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 72.1 111.138 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.93 -21.91 68.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 61.24 112.49 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.28 -39.17 96.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 53.52 112.485 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.7 t -75.45 -44.59 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 65.11 111.164 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 75.11 111.109 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.919 0.39 . . . . 72.34 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -52.36 -30.81 30.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.845 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.61 109.34 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.53 110.896 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -107.23 26.97 9.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.835 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.91 -33.84 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.865 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.41 160.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 72.45 110.813 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.94 40.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 51.04 112.459 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -137.98 171.63 14.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.871 0.367 . . . . 75.21 110.918 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -79.22 -11.87 59.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 73.43 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -51.29 114.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 63.11 111.152 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -79.38 -22.33 44.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -58.38 -25.46 62.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.863 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -75.82 -6.25 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 74.22 110.88 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -51.65 -25.08 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.897 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -20.67 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.908 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.63 -20.64 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 72.31 111.127 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.63 -30.04 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 74.02 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.41 -29.82 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 71.53 110.889 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.43 -23.09 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 63.31 111.099 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -78.36 -22.6 47.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 73.23 110.918 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.05 51.94 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 52.2 110.871 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.2 m -79.28 -28.04 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.145 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.7 161.75 13.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 65.11 112.488 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 p -103.73 140.38 37.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.928 0.394 . . . . 75.34 110.857 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -63.27 123.81 19.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.94 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -76.52 -46.16 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.908 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.14 119.57 0.89 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 53.22 112.52 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.49 48.93 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 64.43 111.119 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.9 pt -56.24 -25.77 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.41 111.126 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.2 -30.33 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 70.51 111.127 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.61 99.08 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 72.32 112.467 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mp -55.54 -52.37 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.351 . . . . 70.33 110.902 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -134.18 150.08 51.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.901 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.38 161.59 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.34 111.123 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.98 -23.18 62.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 74.24 112.512 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.18 -22.21 55.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 60.32 112.451 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -111.46 -29.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 72.41 111.14 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 75.15 111.151 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.882 0.373 . . . . 75.21 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -109.6 21.79 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 72.43 110.935 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -96.72 55.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 74.25 110.876 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -75.51 -36.61 60.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 62.44 110.818 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -103.72 143.79 32.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.35 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -63.53 170.3 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.872 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.75 97.59 2.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 65.55 112.537 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -96.97 171.07 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 75.42 110.894 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.36 -21.05 46.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 74.33 110.89 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.15 114.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 74.12 111.123 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -69.42 -22.44 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.88 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -58.3 -25.18 61.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.841 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -75.59 -6.37 50.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.3 110.913 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -51.73 -24.96 6.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.902 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -20.69 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 65.22 110.891 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.67 -20.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.14 111.095 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.64 -29.96 8.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.895 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.84 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 75.32 110.917 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.45 -25.06 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 72.15 111.154 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.79 -26.22 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 71.34 110.896 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -102.84 37.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.905 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.1 m -78.98 -28.32 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 74.3 111.165 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.83 152.87 21.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.72 . . . . 73.52 112.527 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 t -91.52 141.76 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 75.24 110.859 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -96.86 -177.96 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 74.1 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -108.46 -64.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.34 110.879 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.36 118.41 0.83 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.735 . . . . 71.31 112.491 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.41 31.12 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 53.24 111.116 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 pt -57.51 -26.12 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 75.33 111.14 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.7 mt -63.21 -35.38 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 75.44 111.135 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.83 153.19 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 73.55 112.5 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.62 -49.26 63.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 75.15 110.943 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.6 mtt -147.19 160.05 42.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 74.02 110.843 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 t -118.84 139.46 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 63.43 111.153 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.65 -19.63 58.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 54.13 112.489 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.88 -24.44 75.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 74.35 112.506 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -112.15 -36.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 62.44 111.09 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 75.24 111.124 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.889 0.376 . . . . 75.31 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -53.16 171.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 73.31 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.82 174.73 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 75.51 110.841 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -67.51 -72.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.868 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -123.43 -73.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 65.53 110.866 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.3 m 52.11 47.96 23.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.848 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 92.45 1.06 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 72.1 112.535 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -145.84 171.67 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 74.2 110.919 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -79.29 -11.14 59.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 71.42 110.863 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 p -51.38 113.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 71.4 111.129 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -72.92 -20.89 60.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.85 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -61.11 -18.9 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 63.43 110.812 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -75.28 -6.41 49.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 75.24 110.871 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -24.97 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.854 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -20.58 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 70.43 110.881 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.76 -20.57 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.09 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.69 -29.84 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 62.41 110.893 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.69 -29.71 19.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 72.32 110.886 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.4 -25.33 18.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 63.51 111.122 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -78.39 -25.19 46.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.883 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -96.74 26.29 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.54 110.873 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.22 -26.5 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.05 111.096 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.29 115.77 4.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 70.4 112.483 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -93.57 117.73 30.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 73.53 110.885 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -73.48 168.35 19.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.893 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -93.96 -29.87 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.867 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.41 -45.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 73.35 112.489 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.04 27.32 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 75.4 111.088 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.1 pt -56.12 -25.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.42 111.118 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.1 -28.29 44.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.145 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.57 120.43 2.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 60.24 112.473 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 mt -52.11 -55.92 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.341 . . . . 75.23 110.894 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.2 153.75 51.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 53.33 110.899 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 t -108.42 143.55 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 75.2 111.181 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.35 -25.97 63.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.812 -0.709 . . . . 71.32 112.479 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.1 -27.95 73.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 60.1 112.462 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.4 t -89.33 -39.31 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 73.33 111.1 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 73.21 111.123 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.882 0.373 . . . . 71.33 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -102.19 -31.79 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.912 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -52.39 111.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 71.32 110.859 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -137.71 163.57 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.884 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.61 175.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.873 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -59.36 109.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.01 110.844 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.48 -78.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 71.41 112.464 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -151.55 171.62 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 75.32 110.955 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.23 -10.88 59.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.864 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.49 113.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 62.12 111.09 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -69.17 -21.12 64.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.866 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -62.46 -17.29 59.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 72.41 110.802 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.34 -6.41 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 75.13 110.887 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -51.72 -25.0 6.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.894 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -20.61 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.893 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.58 -20.65 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 74.14 111.126 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -49.63 -30.0 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.899 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.47 -29.8 17.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.901 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.7 -25.72 18.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 73.2 111.125 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.66 -26.27 54.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.83 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -103.35 36.47 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 71.44 110.833 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 m -78.95 -31.98 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 65.34 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.73 145.64 17.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 74.12 112.502 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.0 m -103.91 139.25 39.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 74.23 110.871 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -78.08 144.56 36.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.14 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -52.55 -53.39 46.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.902 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.24 111.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 64.22 112.493 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.29 42.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 65.13 111.07 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.9 pt -74.81 -28.33 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 64.55 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mt -75.26 -31.39 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 73.53 111.127 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.99 113.34 4.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 72.4 112.513 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.69 -49.09 77.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.332 . . . . 74.42 110.914 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.9 ptp -164.77 141.75 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 71.41 110.885 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 m -119.76 152.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.34 111.134 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.18 -20.99 76.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 40.04 112.491 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.49 -22.78 66.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.8 -0.714 . . . . 74.4 112.479 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.25 -33.29 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 73.42 111.135 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.141 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.896 0.379 . . . . 74.35 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -130.07 -170.14 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 72.43 110.815 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 129.65 45.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.895 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -120.42 57.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 75.55 110.907 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -136.52 169.59 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.884 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.7 p -71.5 159.68 34.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 72.02 110.853 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.64 -53.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 54.05 112.448 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -156.18 171.59 19.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 74.34 110.946 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -79.2 -11.23 59.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.948 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -51.45 113.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 75.22 111.157 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -75.25 -19.86 59.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.84 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -62.37 -17.29 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 72.23 110.843 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -75.34 -6.44 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.05 110.879 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -51.75 -24.96 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 75.13 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -20.61 24.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 65.31 110.925 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.66 -20.61 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.133 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -49.6 -30.04 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 63.52 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.41 -29.86 17.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 73.14 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.61 -25.21 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 72.51 111.134 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -76.61 -26.72 55.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.54 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.62 41.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 64.33 110.9 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.7 m -79.03 -25.85 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.33 111.12 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.66 134.16 7.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 75.34 112.511 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.3 p -91.46 143.31 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 72.32 110.883 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -85.2 155.48 21.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.5 110.864 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -63.37 -45.59 90.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.2 110.91 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.93 -41.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 52.4 112.479 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.09 47.13 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.72 0.295 . . . . 64.12 111.124 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 pt -65.12 -25.34 37.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 74.23 111.143 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mp -75.69 -37.93 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.118 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.99 119.43 5.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 62.33 112.512 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.89 -55.22 28.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 73.23 110.932 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.1 ptp -148.76 158.35 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.875 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -96.76 159.34 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 75.02 111.121 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.16 -19.97 47.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 53.42 112.495 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.97 -29.76 59.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 63.4 112.486 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -91.85 -29.83 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 73.41 111.13 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 70.51 111.132 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.794 0.33 . . . . 72.35 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -111.81 21.92 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 64.04 110.894 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.97 176.77 10.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.892 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -118.09 -44.19 2.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 73.05 110.815 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -145.87 122.18 10.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.52 110.838 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 t -155.89 157.45 36.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 55.11 110.851 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.13 75.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 73.11 112.483 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -144.73 171.02 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 72.34 110.98 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.37 -21.03 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 73.44 110.9 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -51.16 114.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 65.4 111.154 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.44 -22.3 41.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.835 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -58.36 -25.47 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 64.24 110.878 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -75.75 -6.25 49.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.885 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -51.69 -25.06 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.909 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.69 24.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.909 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.62 -20.61 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.153 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.64 -30.02 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.46 -29.79 17.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.845 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.95 -25.11 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.136 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -79.25 -18.22 53.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 54.12 110.936 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.84 48.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 73.52 110.869 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.4 m -79.24 -28.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.128 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.03 150.78 21.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 74.13 112.456 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -103.2 119.93 39.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 74.2 110.868 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -79.21 149.53 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 70.24 110.918 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -117.15 -74.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.49 112.75 3.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 54.54 112.466 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.1 42.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.306 . . . . 73.11 111.088 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.9 pt -72.19 -25.39 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 75.32 111.13 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.9 mm -74.23 -27.79 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.144 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.55 146.8 16.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 72.45 112.513 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.5 tp -77.4 -41.34 40.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 71.21 110.94 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.8 mtt -145.99 161.44 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.853 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.06 139.84 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.33 -31.91 75.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 55.13 112.467 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.03 -34.3 72.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 54.45 112.511 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.5 t -86.16 -27.37 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 74.41 111.116 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.41 111.09 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.861 0.362 . . . . 70.11 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -112.54 18.13 18.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 75.41 110.865 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -86.92 85.97 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 71.54 110.86 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -124.78 153.55 42.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 71.31 110.824 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.19 109.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -164.95 137.39 4.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.852 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.66 83.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 54.41 112.466 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -136.08 171.6 14.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 74.52 110.944 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.23 -11.19 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 75.3 110.913 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 p -51.38 113.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 74.01 111.148 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -79.22 -22.27 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 64.03 110.889 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -58.34 -25.54 62.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -75.69 -6.24 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.924 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -51.74 -24.98 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.87 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -20.69 24.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.931 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.57 -20.71 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 72.21 111.15 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.54 -30.08 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.902 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.84 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.13 110.834 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.54 -25.57 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 65.21 111.088 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -76.22 -26.71 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.03 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -107.55 42.51 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.926 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 m -78.13 -25.51 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 75.12 111.116 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.84 100.92 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.777 -0.725 . . . . 74.34 112.476 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.5 p -170.7 122.66 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 72.14 110.813 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -165.84 136.03 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 72.42 110.904 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -32.09 10.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 75.05 110.908 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.84 94.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 73.13 112.469 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.34 27.21 4.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.737 0.303 . . . . 73.23 111.097 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.1 pt -63.0 -25.35 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 70.22 111.15 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -119.59 -31.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 73.03 111.16 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.24 112.17 3.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.725 . . . . 72.01 112.511 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.14 -46.85 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 75.15 110.944 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 mmt -127.87 146.8 50.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.865 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.31 139.25 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 73.1 111.119 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.89 -38.04 59.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 74.52 112.49 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.33 -21.17 59.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 62.33 112.532 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.7 t -94.54 -39.41 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 73.41 111.101 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.52 111.11 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.925 0.393 . . . . 73.14 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -93.74 17.58 11.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.35 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.07 129.81 26.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.876 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -118.21 169.16 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.879 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.33 -28.59 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 64.45 110.878 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 p -57.49 135.58 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 64.11 110.842 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.48 99.6 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 74.23 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -104.5 171.64 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 72.33 110.91 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.21 -11.01 59.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 73.33 110.884 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.52 113.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 73.04 111.113 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -68.71 -22.42 64.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.33 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -58.37 -24.97 61.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 71.23 110.826 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -75.66 -6.28 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 72.24 110.865 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -25.01 6.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.874 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -20.71 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.947 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.58 -20.71 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 73.45 111.138 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.59 -30.04 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.81 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 62.11 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.42 -25.06 17.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.11 111.112 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -77.43 -26.3 51.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.89 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -101.58 36.41 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 74.53 110.902 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.9 -27.54 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 75.14 111.097 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.31 139.12 14.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 73.1 112.456 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -96.11 146.56 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 75.13 110.832 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -99.02 -178.8 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 70.44 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -105.85 -51.05 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.908 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.1 -56.27 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 73.11 112.481 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.45 36.86 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 61.42 111.076 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.7 pt -56.1 -26.87 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.23 111.079 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.05 -34.39 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.133 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.21 98.49 2.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 74.42 112.478 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -45.12 95.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 65.32 110.898 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.33 151.77 51.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 75.2 110.882 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -140.87 150.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 74.43 111.129 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.81 -19.86 42.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 63.02 112.484 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.8 -21.16 43.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 63.53 112.5 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.3 m -101.62 -26.02 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 72.41 111.116 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.35 111.118 179.899 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.886 0.374 . . . . 71.4 110.928 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -103.94 17.96 23.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.845 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -80.03 114.52 19.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.866 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -121.81 -178.03 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 63.24 110.897 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -75.34 -67.1 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.861 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.8 t -161.18 141.42 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.88 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.38 -99.22 2.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 72.11 112.478 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -159.01 171.61 19.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.902 0.382 . . . . 74.31 110.906 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.19 -11.13 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 70.4 110.882 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -51.37 113.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 72.4 111.114 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -66.12 -23.14 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 63.21 110.871 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -58.36 -24.96 61.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 61.3 110.866 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -75.68 -6.27 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.951 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -51.74 -24.98 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 72.43 110.897 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.71 24.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.875 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.67 -20.62 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 65.14 111.149 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.68 -30.03 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 75.41 110.815 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.83 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.845 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.69 -28.33 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 72.24 111.116 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -76.08 -26.34 56.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.866 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -105.0 38.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.896 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 m -78.06 -29.78 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.54 111.166 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.58 115.32 5.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 74.44 112.454 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 t -106.43 157.43 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 74.24 110.877 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -122.31 152.86 39.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.888 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -53.69 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.883 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.99 -25.68 4.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 64.33 112.502 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.8 44.72 13.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 74.52 111.084 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 pt -54.74 -27.7 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 75.25 111.114 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.1 mt -79.31 -41.36 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 75.31 111.101 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.28 98.81 1.06 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 75.31 112.492 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.48 -48.38 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 74.34 110.945 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mtp -111.56 132.93 54.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.852 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.69 134.18 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 73.3 111.136 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.49 -20.13 63.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 72.52 112.448 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.69 -21.14 66.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 72.43 112.484 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 m -114.11 -38.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 72.43 111.101 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 64.21 111.132 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.912 0.387 . . . . 75.01 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -93.86 -22.65 18.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 72.45 110.883 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -70.13 84.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.864 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -115.05 -43.34 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.876 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -129.96 141.03 50.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.865 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.63 127.22 32.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.862 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.08 -75.61 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 53.54 112.443 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -166.39 171.64 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 74.23 110.928 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -10.75 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 70.02 110.879 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.5 113.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.11 111.109 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -63.48 -22.27 66.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 75.44 110.867 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -61.46 -18.5 59.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.822 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -75.34 -6.37 49.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.896 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -24.96 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 75.2 110.892 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -20.44 26.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.908 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.85 -20.55 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 71.12 111.166 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -49.78 -29.7 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 75.4 110.914 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.79 -29.71 20.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.898 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.16 -28.5 21.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.13 111.092 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -79.19 -20.63 47.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.9 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.28 32.37 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.25 110.86 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.4 m -78.75 -25.7 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.03 111.154 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.29 123.32 7.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 72.14 112.448 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.8 m -96.5 153.72 17.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.894 0.378 . . . . 75.34 110.849 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -106.7 175.91 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 71.33 110.9 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -109.39 -27.93 9.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.879 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.85 -53.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 74.32 112.512 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.73 38.19 29.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 65.32 111.042 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.5 pt -61.05 -25.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 73.13 111.166 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.8 mt -76.38 -33.65 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 73.34 111.152 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.66 109.39 3.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 65.51 112.526 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.42 -40.74 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 60.23 110.919 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mmt -133.68 155.13 50.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.864 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t -133.05 141.12 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.11 111.133 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.84 -21.47 61.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 73.14 112.466 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.15 -28.48 56.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.727 -0.749 . . . . 75.45 112.471 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.1 t -91.69 -37.09 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 74.21 111.106 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 65.13 111.113 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.891 0.377 . . . . 74.22 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -111.69 -28.5 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 64.21 110.852 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.62 154.73 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.03 110.851 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -90.6 -55.99 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.24 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -157.64 151.14 23.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.51 110.871 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 p -171.22 146.56 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.883 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.11 46.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.707 -0.758 . . . . 73.25 112.462 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -107.8 171.04 7.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.84 0.352 . . . . 73.25 110.912 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -79.3 -21.15 46.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 73.25 110.883 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.11 114.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 74.21 111.1 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -80.36 -22.29 41.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 73.13 110.89 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -58.34 -25.42 61.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.914 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -75.72 -6.35 50.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.929 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -51.63 -25.03 6.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.02 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.74 24.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 70.43 110.907 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.55 -20.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.089 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.58 -30.1 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.45 -29.75 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.916 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.31 -24.61 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 74.34 111.084 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -77.69 -26.09 49.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 75.34 110.85 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -101.24 36.33 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -79.03 -25.66 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.179 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.9 165.61 19.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 60.41 112.494 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -93.02 131.87 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 75.32 110.859 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -106.73 -68.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 65.53 110.883 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 62.24 17.77 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 73.13 110.903 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.12 37.15 2.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 55.23 112.443 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.96 29.49 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 73.53 111.091 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.3 pt -63.94 -26.89 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.41 111.143 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mp -67.8 -28.2 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.171 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.55 119.52 6.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 73.21 112.456 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tp -52.71 -36.65 57.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 72.13 110.877 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.3 146.71 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.904 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.8 m -100.61 164.17 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 74.55 111.132 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.99 -19.79 46.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 73.14 112.517 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.94 -41.48 82.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 62.31 112.483 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 m -81.18 -25.36 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.376 . . . . 72.21 111.157 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.156 179.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.873 0.368 . . . . 73.12 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -105.92 -32.35 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 73.54 110.876 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 mtm-85 -61.41 114.36 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.14 110.899 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -90.02 -46.74 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.3 -74.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 65.01 110.892 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t 51.67 51.87 15.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 70.21 110.877 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.34 37.98 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 72.02 112.484 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -125.98 170.95 11.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 65.35 110.91 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.33 -20.99 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.927 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -51.23 114.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 71.51 111.098 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -82.48 -20.75 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.54 110.853 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -60.4 -23.37 64.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.842 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -75.46 -6.38 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.942 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -24.92 6.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 73.53 110.913 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -20.72 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.92 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.59 -20.67 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.176 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.61 -30.05 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.15 110.913 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.48 -29.77 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.849 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.3 -24.36 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 65.31 111.086 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -79.27 -11.22 59.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.826 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.83 29.08 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.864 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.4 -28.68 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 74.21 111.132 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.93 156.45 22.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 70.13 112.495 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -105.08 147.62 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 72.11 110.861 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -89.82 100.85 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -83.57 -55.21 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.893 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.08 94.0 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 63.14 112.467 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.32 42.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.714 0.293 . . . . 63.42 111.071 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.4 pt -63.77 -26.34 40.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 65.11 111.146 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -78.53 -26.91 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.44 111.145 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.82 107.43 3.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 72.22 112.456 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.56 -38.53 70.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 74.12 110.956 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.7 ptp -138.75 152.69 48.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.874 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.41 156.82 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.135 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.23 -19.8 58.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 71.01 112.497 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.49 -21.77 49.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 73.13 112.478 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.4 m -106.18 -27.48 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 71.44 111.123 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 75.21 111.125 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.913 0.387 . . . . 74.31 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -80.54 -30.1 37.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 72.21 110.879 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -90.91 160.04 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 73.35 110.878 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -85.27 143.25 28.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 75.42 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -55.96 -26.4 47.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 73.13 110.928 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -56.53 152.99 10.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.855 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.87 81.09 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 61.34 112.489 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -100.55 171.62 7.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 73.32 110.924 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.27 -11.05 59.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.866 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.42 113.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.01 111.127 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -74.08 -21.68 59.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.851 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -58.3 -25.46 61.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 73.13 110.877 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -75.74 -6.28 49.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 75.34 110.855 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -51.65 -25.05 6.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.903 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.68 24.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 64.1 110.928 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.6 -20.68 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.13 111.101 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.66 -29.99 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.875 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.81 17.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 75.31 110.87 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.46 -25.08 16.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 64.32 111.127 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -76.44 -26.27 55.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 74.14 110.914 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -103.55 36.44 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 65.11 110.937 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -77.68 -26.17 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.02 111.101 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.22 165.33 31.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 41.21 112.486 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -93.21 125.25 37.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 75.21 110.836 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -107.35 -73.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 71.52 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt 62.67 19.36 11.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 72.12 110.887 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.39 -111.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 74.21 112.491 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.06 37.0 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 71.22 111.1 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.4 pt -57.59 -27.25 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.12 111.166 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mm -77.9 -39.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 75.24 111.134 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.6 128.06 8.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 65.33 112.504 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 tt -63.56 -41.24 98.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 73.24 110.917 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ptp -147.35 151.35 36.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.881 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -123.97 142.4 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.11 111.095 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.85 -20.58 57.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 72.05 112.47 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.45 -20.94 53.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 65.2 112.466 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -91.63 -43.51 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.814 0.34 . . . . 54.22 111.098 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.4 111.14 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 56.8 t0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.804 0.335 . . . . 63.12 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.68 135.18 54.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.066 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -84.8 151.09 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 74.35 110.87 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -115.89 -33.93 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.877 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -130.0 130.15 44.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 74.02 110.849 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -117.52 45.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.848 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -173.07 150.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 71.51 110.85 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.4 m -64.3 172.7 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.896 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.76 -80.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 64.25 112.496 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -152.28 171.61 17.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 74.35 110.953 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -79.3 -11.07 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 71.54 110.865 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -51.42 113.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.1 111.177 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -74.26 -21.66 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -58.35 -25.41 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.841 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -75.72 -6.28 49.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 72.41 110.946 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -51.69 -24.99 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.02 110.921 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.66 24.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.92 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.75 -20.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 74.3 111.112 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.71 -29.86 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 64.45 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.65 -29.71 18.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 62.42 110.871 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.84 -24.29 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 75.01 111.09 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -79.15 -23.27 44.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -87.1 51.88 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.889 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.1 m -79.3 -29.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 64.41 111.154 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.75 162.24 25.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 74.51 112.506 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -125.85 124.99 42.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.372 . . . . 51.41 110.875 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -65.08 144.2 57.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 70.21 110.882 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -73.09 -52.49 14.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.889 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.76 112.77 0.6 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.76 . . . . 64.34 112.476 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.46 30.0 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 73.44 111.058 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.0 pt -55.29 -26.54 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 63.21 111.148 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.53 -31.01 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 72.34 111.107 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.34 111.68 3.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 64.11 112.538 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.0 -32.83 74.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 73.11 110.912 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.5 mmm -137.08 162.3 33.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 74.45 110.909 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.6 t -115.43 141.43 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 52.3 111.145 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.16 -20.61 54.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 75.25 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.16 -36.4 56.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 62.12 112.477 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.0 m -105.39 -25.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 74.44 111.113 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 71.42 111.163 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 75.1 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.87 163.8 23.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.53 111.165 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -68.43 166.65 16.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 75.2 110.917 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -84.37 -171.14 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.881 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -52.81 107.89 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.838 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -72.28 -27.13 62.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.884 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -65.01 177.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -87.2 -52.78 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 75.53 110.904 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.51 -62.23 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 55.42 112.468 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -149.17 171.03 17.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 73.04 110.885 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -79.33 -21.03 46.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 73.51 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.3 p -51.2 114.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.13 111.1 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -67.43 -22.18 65.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 72.55 110.827 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -58.32 -22.39 52.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 74.54 110.83 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -75.31 -6.4 49.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 71.1 110.933 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -25.02 6.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.898 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -20.62 25.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.63 -20.6 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.32 111.142 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.71 -30.0 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.864 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.48 -29.76 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 73.13 110.867 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.7 -25.73 18.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 74.03 111.091 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -77.41 -26.22 51.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.911 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -101.62 36.32 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.866 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.5 m -78.85 -27.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 73.2 111.142 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.78 107.22 0.69 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 42.31 112.446 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -90.58 160.05 16.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 65.42 110.86 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -75.87 -179.01 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.51 110.899 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.24 -30.7 13.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.888 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.35 -65.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 74.31 112.469 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.97 30.09 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.713 0.292 . . . . 75.23 111.102 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 pt -58.18 -26.6 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.8 mt -56.56 -31.36 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.54 111.127 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.5 139.79 15.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 75.43 112.484 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.44 -36.99 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 73.11 110.937 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.83 154.85 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 63.14 110.898 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.89 152.89 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 62.3 111.099 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.4 -20.07 49.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 74.35 112.492 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.02 -28.86 69.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 62.43 112.502 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.9 m -81.03 -31.86 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 74.14 111.12 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.21 111.108 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.797 0.332 . . . . 73.21 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.94 147.71 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 72.55 111.107 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.88 143.85 46.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 73.01 110.926 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -114.15 -170.24 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 75.22 110.832 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 151.71 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 73.45 110.872 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -75.83 -71.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 75.41 110.873 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -156.97 174.79 14.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.5 110.85 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -64.21 132.02 49.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.832 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.38 -33.32 2.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.77 . . . . 74.31 112.439 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -111.8 171.59 7.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 75.25 110.945 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -79.26 -11.06 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 64.51 110.852 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.53 113.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 74.23 111.091 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -79.2 -22.33 45.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.891 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -58.39 -25.45 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 72.21 110.854 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -75.71 -6.29 49.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 74.25 110.901 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -51.68 -25.02 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.905 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.7 24.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 75.32 110.932 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.59 -20.64 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 75.11 111.149 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.61 -30.07 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.83 17.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 74.42 110.904 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.19 -24.88 17.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 63.53 111.125 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -77.39 -26.25 51.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 63.22 110.895 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -101.53 36.52 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.22 110.871 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -79.09 -25.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.148 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.34 149.69 16.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.746 . . . . 70.33 112.446 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.2 p -109.38 163.96 12.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 74.33 110.849 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -116.54 173.93 6.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 71.4 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -79.11 -55.86 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 74.03 110.92 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.01 124.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 74.14 112.521 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.43 37.49 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 60.13 111.12 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 pt -55.77 -30.29 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 73.23 111.089 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.8 mt -71.88 -28.36 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 72.14 111.129 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.66 123.68 7.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 71.55 112.503 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -51.74 60.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 74.22 110.893 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -137.87 154.92 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 71.13 110.851 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.0 t -107.24 144.63 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 72.35 111.129 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.07 -31.83 59.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.709 . . . . 74.22 112.453 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.58 -26.12 74.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 70.14 112.443 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.4 t -89.59 -25.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 72.44 111.078 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.179 179.908 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.843 0.354 . . . . 72.44 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.7 179.02 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 74.22 111.086 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.66 114.92 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 75.44 110.914 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -70.52 -178.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 75.2 110.945 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -55.31 108.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.871 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -109.28 29.55 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 74.35 110.842 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -128.87 166.68 18.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.41 110.914 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -54.42 168.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 35.55 110.877 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.61 -90.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 73.55 112.506 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -143.24 171.6 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 74.12 110.937 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.22 -11.08 59.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 72.14 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -51.47 113.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 71.51 111.111 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -75.95 -21.72 56.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.816 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -58.35 -25.43 61.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 73.55 110.917 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -75.75 -6.2 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -51.74 -24.96 6.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.11 110.909 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.75 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.924 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.54 -20.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.53 111.137 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.63 -30.03 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 70.24 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.39 -29.88 17.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.54 110.89 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.44 -25.08 17.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 75.24 111.114 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -77.57 -26.34 50.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 74.4 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.18 36.44 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 61.14 110.867 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.2 m -79.19 -25.72 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 74.25 111.158 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.47 157.07 22.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.754 . . . . 70.35 112.473 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -114.85 142.03 47.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 75.42 110.827 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -86.03 155.7 20.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 75.13 110.904 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -82.33 -48.66 10.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 75.55 110.913 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.26 -79.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 71.23 112.442 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.74 44.96 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 73.33 111.05 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.8 pt -76.43 -27.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 65.22 111.133 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.85 -26.89 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 73.3 111.152 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.67 119.7 6.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 51.1 112.462 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.57 -51.05 71.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 75.41 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.8 mmt -136.82 161.51 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 60.12 110.833 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 t -114.32 142.47 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.21 111.093 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.5 -19.62 54.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 42.35 112.482 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.55 -23.44 73.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 74.41 112.506 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 m -112.72 -27.36 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 74.24 111.146 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 74.33 111.129 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.836 0.351 . . . . 62.12 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.41 150.04 43.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 65.1 111.086 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -73.54 127.43 32.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.923 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -90.84 -32.15 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.53 110.864 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -52.15 123.6 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 70.23 110.874 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -117.54 178.49 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.887 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -73.79 -64.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -150.01 156.25 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.856 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.56 -98.42 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 64.2 112.479 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -165.86 171.56 12.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 72.42 110.877 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -79.21 -10.58 59.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 72.25 110.871 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.54 113.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 74.05 111.128 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -67.01 -22.46 65.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.922 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -58.38 -24.45 59.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.54 110.83 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.6 -6.34 49.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.936 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -24.98 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.902 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -20.73 25.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 72.41 110.862 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.61 -20.62 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.158 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.62 -30.0 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.909 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.45 -29.79 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.887 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.98 -25.52 17.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 74.44 111.086 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -77.37 -26.33 51.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 72.31 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.46 31.76 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.856 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.4 m -67.35 -30.68 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 75.44 111.162 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.28 101.28 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 73.32 112.494 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 t -169.7 165.4 10.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.389 . . . . 72.14 110.822 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m120 60.1 48.49 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 75.22 110.923 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.12 -25.59 67.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.911 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.19 -43.9 0.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 70.13 112.488 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.65 40.9 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 74.52 111.106 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.6 pt -69.27 -27.36 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.25 111.168 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.23 -29.75 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.164 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.11 115.1 1.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 64.12 112.484 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.9 -27.44 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.79 0.329 . . . . 75.35 110.907 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.9 mtp -137.11 164.34 28.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 70.11 110.847 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.6 138.87 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 75.43 111.151 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.52 -21.06 79.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 74.53 112.502 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.77 -27.71 28.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 71.33 112.465 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.39 -32.54 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 74.34 111.159 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 73.34 111.137 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.804 0.335 . . . . 70.1 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.81 179.71 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 63.23 111.078 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -120.91 169.68 10.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 73.24 110.884 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -124.07 163.81 20.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 73.52 110.902 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 146.29 33.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.89 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -128.12 105.43 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 70.15 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -166.35 164.42 17.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 72.4 110.89 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t -96.48 105.12 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 70.32 110.867 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.73 -66.72 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 73.02 112.497 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -123.83 171.62 9.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.35 . . . . 71.51 110.924 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -11.18 59.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 75.43 110.879 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.47 113.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.14 111.093 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -73.28 -22.5 60.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.871 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -58.22 -22.84 53.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.43 110.827 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -75.57 -6.37 49.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 64.24 110.893 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -24.98 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 73.53 110.95 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -20.59 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.967 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.64 -20.64 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 72.42 111.158 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.62 -30.02 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.88 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.84 17.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 73.12 110.868 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.16 -33.34 26.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 73.34 111.143 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -74.58 -26.32 59.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 61.52 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.49 41.46 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.917 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.77 -26.84 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.161 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.3 147.8 19.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 73.24 112.496 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -111.73 149.03 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 73.21 110.868 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -112.33 139.54 47.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 62.44 110.915 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -69.82 -32.56 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.934 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.66 116.48 0.77 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 70.52 112.485 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.45 32.39 6.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 72.12 111.049 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.0 pt -66.5 -27.06 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 63.03 111.119 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.5 mt -54.31 -28.61 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 73.42 111.1 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.8 123.44 6.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 32.13 112.493 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.5 tp -55.28 -35.77 65.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 74.42 110.913 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -143.35 157.3 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.13 110.938 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 t -105.63 132.08 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 75.33 111.119 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.53 -22.18 74.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 61.24 112.517 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.6 -39.91 54.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 61.51 112.497 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.9 m -88.59 -27.84 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 73.2 111.156 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 74.21 111.136 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.815 0.341 . . . . 72.31 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.14 176.01 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.101 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -114.41 121.59 44.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 74.35 110.837 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -103.99 -30.61 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 75.41 110.878 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -52.08 124.23 12.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 71.42 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -154.44 173.36 16.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.884 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -56.14 155.26 6.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.823 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.4 p -55.16 107.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 70.45 110.84 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.21 -63.28 5.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 32.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -162.04 171.59 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 75.43 110.916 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.17 -11.02 59.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 74.45 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -51.42 113.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.103 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -65.93 -23.29 66.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 62.42 110.866 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -59.87 -20.64 58.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 75.21 110.836 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -75.46 -6.38 49.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 71.25 110.89 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -24.97 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 64.51 110.884 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -20.67 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.01 110.876 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.63 -20.64 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 75.34 111.134 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.69 -29.93 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.843 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.5 -29.83 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.15 110.911 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.52 -26.39 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 74.14 111.089 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -77.26 -25.94 52.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 75.41 110.918 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -101.89 34.32 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.887 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 m -79.12 -28.4 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 60.55 111.177 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.99 130.0 10.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 61.02 112.514 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.7 m -113.47 109.51 18.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 73.01 110.85 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -54.18 124.47 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.834 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -58.27 -49.02 78.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.863 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.73 93.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 64.02 112.497 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.2 40.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 73.22 111.119 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 pt -55.78 -25.96 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.136 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -78.42 -37.37 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 75.32 111.13 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.25 124.18 7.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 73.33 112.476 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.96 -45.47 20.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.768 0.318 . . . . 73.33 110.91 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -150.28 160.8 43.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.882 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -126.95 165.68 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 72.1 111.138 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.93 -21.91 68.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 61.24 112.49 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.28 -39.17 96.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 53.52 112.485 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.7 t -75.45 -44.59 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 65.11 111.164 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 75.11 111.109 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.809 0.338 . . . . 72.55 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.64 164.81 5.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 64.11 111.073 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -75.45 137.6 41.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 72.34 110.862 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -52.36 -30.81 30.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.845 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.61 109.34 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.53 110.896 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -107.23 26.97 9.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.835 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.91 -33.84 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.865 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.41 160.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 72.45 110.813 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.94 40.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 51.04 112.459 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -137.98 171.63 14.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.871 0.367 . . . . 75.21 110.918 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -79.22 -11.87 59.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 73.43 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -51.29 114.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 63.11 111.152 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -79.38 -22.33 44.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -58.38 -25.46 62.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.863 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -75.82 -6.25 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 74.22 110.88 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -51.65 -25.08 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.897 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -20.67 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.908 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.63 -20.64 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 72.31 111.127 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.63 -30.04 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 74.02 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.41 -29.82 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 71.53 110.889 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.43 -23.09 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 63.31 111.099 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -78.36 -22.6 47.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 73.23 110.918 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.05 51.94 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 52.2 110.871 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.2 m -79.28 -28.04 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.145 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.7 161.75 13.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 65.11 112.488 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 p -103.73 140.38 37.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.928 0.394 . . . . 75.34 110.857 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -63.27 123.81 19.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.94 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -76.52 -46.16 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.908 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.14 119.57 0.89 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 53.22 112.52 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.49 48.93 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 64.43 111.119 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.9 pt -56.24 -25.77 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.41 111.126 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.2 -30.33 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 70.51 111.127 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.61 99.08 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 72.32 112.467 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mp -55.54 -52.37 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.351 . . . . 70.33 110.902 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -134.18 150.08 51.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.901 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.38 161.59 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.34 111.123 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.98 -23.18 62.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 74.24 112.512 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.18 -22.21 55.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 60.32 112.451 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -111.46 -29.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 72.41 111.14 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 75.15 111.151 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.8 0.334 . . . . 75.12 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.76 170.82 7.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 75.24 111.092 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -90.0 179.86 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 75.21 110.876 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -109.6 21.79 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 72.43 110.935 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -96.72 55.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 74.25 110.876 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -75.51 -36.61 60.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 62.44 110.818 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -103.72 143.79 32.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.35 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -63.53 170.3 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.872 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.75 97.59 2.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 65.55 112.537 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -96.97 171.07 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 75.42 110.894 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.36 -21.05 46.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 74.33 110.89 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.15 114.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 74.12 111.123 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -69.42 -22.44 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.88 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -58.3 -25.18 61.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.841 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -75.59 -6.37 50.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.3 110.913 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -51.73 -24.96 6.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.902 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -20.69 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 65.22 110.891 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.67 -20.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.14 111.095 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.64 -29.96 8.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.895 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.84 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 75.32 110.917 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.45 -25.06 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 72.15 111.154 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.79 -26.22 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 71.34 110.896 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -102.84 37.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.905 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.1 m -78.98 -28.32 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 74.3 111.165 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.83 152.87 21.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.72 . . . . 73.52 112.527 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 t -91.52 141.76 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 75.24 110.859 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -96.86 -177.96 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 74.1 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -108.46 -64.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.34 110.879 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.36 118.41 0.83 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.735 . . . . 71.31 112.491 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.41 31.12 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 53.24 111.116 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 pt -57.51 -26.12 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 75.33 111.14 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.7 mt -63.21 -35.38 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 75.44 111.135 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.83 153.19 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 73.55 112.5 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.62 -49.26 63.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 75.15 110.943 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.6 mtt -147.19 160.05 42.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 74.02 110.843 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 t -118.84 139.46 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 63.43 111.153 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.65 -19.63 58.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 54.13 112.489 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.88 -24.44 75.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 74.35 112.506 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -112.15 -36.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 62.44 111.09 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 75.24 111.124 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.3 p30 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.78 0.324 . . . . 74.4 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.86 137.07 57.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.02 111.066 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -71.81 152.4 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.844 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -53.16 171.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 73.31 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.82 174.73 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 75.51 110.841 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -67.51 -72.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.868 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -123.43 -73.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 65.53 110.866 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.3 m 52.11 47.96 23.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.848 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 92.45 1.06 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 72.1 112.535 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -145.84 171.67 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 74.2 110.919 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -79.29 -11.14 59.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 71.42 110.863 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 p -51.38 113.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 71.4 111.129 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -72.92 -20.89 60.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.85 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -61.11 -18.9 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 63.43 110.812 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -75.28 -6.41 49.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 75.24 110.871 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -24.97 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.854 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -20.58 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 70.43 110.881 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.76 -20.57 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.09 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.69 -29.84 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 62.41 110.893 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.69 -29.71 19.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 72.32 110.886 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.4 -25.33 18.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 63.51 111.122 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -78.39 -25.19 46.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.883 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -96.74 26.29 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.54 110.873 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.22 -26.5 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.05 111.096 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.29 115.77 4.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 70.4 112.483 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -93.57 117.73 30.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 73.53 110.885 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -73.48 168.35 19.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.893 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -93.96 -29.87 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.867 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.41 -45.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 73.35 112.489 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.04 27.32 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 75.4 111.088 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.1 pt -56.12 -25.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.42 111.118 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.1 -28.29 44.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.145 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.57 120.43 2.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 60.24 112.473 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 mt -52.11 -55.92 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.341 . . . . 75.23 110.894 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.2 153.75 51.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 53.33 110.899 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.6 t -108.42 143.55 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 75.2 111.181 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.35 -25.97 63.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.812 -0.709 . . . . 71.32 112.479 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.1 -27.95 73.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 60.1 112.462 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.4 t -89.33 -39.31 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 73.33 111.1 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 73.21 111.123 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.803 0.335 . . . . 74.01 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.62 125.43 27.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.31 111.107 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -67.95 135.34 52.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.91 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -102.19 -31.79 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.912 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -52.39 111.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 71.32 110.859 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -137.71 163.57 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.884 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.61 175.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.873 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -59.36 109.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.01 110.844 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.48 -78.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 71.41 112.464 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -151.55 171.62 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 75.32 110.955 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.23 -10.88 59.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.864 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.49 113.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 62.12 111.09 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -69.17 -21.12 64.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.866 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -62.46 -17.29 59.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 72.41 110.802 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.34 -6.41 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 75.13 110.887 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -51.72 -25.0 6.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.894 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -20.61 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.893 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.58 -20.65 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 74.14 111.126 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -49.63 -30.0 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.899 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.47 -29.8 17.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.901 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.7 -25.72 18.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 73.2 111.125 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.66 -26.27 54.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.83 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -103.35 36.47 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 71.44 110.833 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 m -78.95 -31.98 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 65.34 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.73 145.64 17.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 74.12 112.502 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.0 m -103.91 139.25 39.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 74.23 110.871 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -78.08 144.56 36.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.14 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -52.55 -53.39 46.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.902 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.24 111.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 64.22 112.493 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.29 42.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 65.13 111.07 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.9 pt -74.81 -28.33 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 64.55 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mt -75.26 -31.39 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 73.53 111.127 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.99 113.34 4.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 72.4 112.513 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.69 -49.09 77.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.332 . . . . 74.42 110.914 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.9 ptp -164.77 141.75 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 71.41 110.885 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 m -119.76 152.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.34 111.134 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.18 -20.99 76.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 40.04 112.491 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.49 -22.78 66.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.8 -0.714 . . . . 74.4 112.479 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.25 -33.29 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 73.42 111.135 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.141 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.862 0.363 . . . . 70.04 110.833 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.43 168.85 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 53.41 111.123 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -109.39 143.92 38.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 74.35 110.896 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -130.07 -170.14 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 72.43 110.815 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 129.65 45.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.895 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -120.42 57.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 75.55 110.907 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -136.52 169.59 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.884 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.7 p -71.5 159.68 34.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 72.02 110.853 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.64 -53.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 54.05 112.448 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -156.18 171.59 19.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 74.34 110.946 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -79.2 -11.23 59.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.948 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -51.45 113.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 75.22 111.157 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -75.25 -19.86 59.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.84 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -62.37 -17.29 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 72.23 110.843 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -75.34 -6.44 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.05 110.879 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -51.75 -24.96 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 75.13 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -20.61 24.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 65.31 110.925 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.66 -20.61 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.133 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -49.6 -30.04 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 63.52 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.41 -29.86 17.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 73.14 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.61 -25.21 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 72.51 111.134 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -76.61 -26.72 55.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.54 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.62 41.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 64.33 110.9 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.7 m -79.03 -25.85 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.33 111.12 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.66 134.16 7.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 75.34 112.511 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.3 p -91.46 143.31 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 72.32 110.883 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -85.2 155.48 21.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.5 110.864 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -63.37 -45.59 90.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.2 110.91 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.93 -41.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 52.4 112.479 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.09 47.13 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.72 0.295 . . . . 64.12 111.124 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 pt -65.12 -25.34 37.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 74.23 111.143 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mp -75.69 -37.93 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.118 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.99 119.43 5.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 62.33 112.512 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.89 -55.22 28.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 73.23 110.932 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.1 ptp -148.76 158.35 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.875 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -96.76 159.34 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 75.02 111.121 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.16 -19.97 47.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 53.42 112.495 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.97 -29.76 59.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 63.4 112.486 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -91.85 -29.83 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 73.41 111.13 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 70.51 111.132 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.82 0.343 . . . . 73.01 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.04 172.55 11.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.147 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -138.98 140.49 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 72.35 110.93 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -111.81 21.92 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 64.04 110.894 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.97 176.77 10.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.892 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -118.09 -44.19 2.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 73.05 110.815 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -145.87 122.18 10.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.52 110.838 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 t -155.89 157.45 36.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 55.11 110.851 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.13 75.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 73.11 112.483 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -144.73 171.02 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 72.34 110.98 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.37 -21.03 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 73.44 110.9 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -51.16 114.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 65.4 111.154 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.44 -22.3 41.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.835 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -58.36 -25.47 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 64.24 110.878 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -75.75 -6.25 49.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.885 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -51.69 -25.06 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.909 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.69 24.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.909 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.62 -20.61 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.153 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.64 -30.02 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.46 -29.79 17.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.845 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.95 -25.11 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.136 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -79.25 -18.22 53.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 54.12 110.936 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.84 48.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 73.52 110.869 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.4 m -79.24 -28.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.128 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.03 150.78 21.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 74.13 112.456 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -103.2 119.93 39.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 74.2 110.868 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -79.21 149.53 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 70.24 110.918 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -117.15 -74.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.49 112.75 3.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 54.54 112.466 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.1 42.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.306 . . . . 73.11 111.088 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.9 pt -72.19 -25.39 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 75.32 111.13 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.9 mm -74.23 -27.79 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.144 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.55 146.8 16.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 72.45 112.513 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.5 tp -77.4 -41.34 40.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 71.21 110.94 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.8 mtt -145.99 161.44 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 75.5 110.853 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.06 139.84 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.33 -31.91 75.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 55.13 112.467 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.03 -34.3 72.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 54.45 112.511 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.5 t -86.16 -27.37 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 74.41 111.116 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.41 111.09 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.807 0.337 . . . . 63.31 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.67 167.92 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 64.13 111.112 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -110.96 142.57 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 70.11 110.867 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -112.54 18.13 18.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 75.41 110.865 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -86.92 85.97 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 71.54 110.86 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -124.78 153.55 42.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 71.31 110.824 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.19 109.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -164.95 137.39 4.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.852 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.66 83.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 54.41 112.466 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -136.08 171.6 14.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 74.52 110.944 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.23 -11.19 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 75.3 110.913 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 p -51.38 113.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 74.01 111.148 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -79.22 -22.27 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 64.03 110.889 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -58.34 -25.54 62.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -75.69 -6.24 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.924 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -51.74 -24.98 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.87 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -20.69 24.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.931 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.57 -20.71 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 72.21 111.15 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.54 -30.08 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.902 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.84 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.13 110.834 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.54 -25.57 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 65.21 111.088 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -76.22 -26.71 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.03 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -107.55 42.51 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.926 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 m -78.13 -25.51 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 75.12 111.116 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.84 100.92 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.777 -0.725 . . . . 74.34 112.476 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.5 p -170.7 122.66 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 72.14 110.813 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -165.84 136.03 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 72.42 110.904 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -32.09 10.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 75.05 110.908 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.84 94.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 73.13 112.469 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.34 27.21 4.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.737 0.303 . . . . 73.23 111.097 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.1 pt -63.0 -25.35 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 70.22 111.15 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -119.59 -31.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 73.03 111.16 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.24 112.17 3.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.725 . . . . 72.01 112.511 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.14 -46.85 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 75.15 110.944 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 mmt -127.87 146.8 50.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.865 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.31 139.25 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 73.1 111.119 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.89 -38.04 59.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 74.52 112.49 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.33 -21.17 59.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 62.33 112.532 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.7 t -94.54 -39.41 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 73.41 111.101 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.52 111.11 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.811 0.338 . . . . 72.44 110.883 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.17 155.53 16.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 63.11 111.082 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -106.5 106.72 17.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -93.74 17.58 11.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.35 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.07 129.81 26.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.876 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -118.21 169.16 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.879 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.33 -28.59 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 64.45 110.878 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 p -57.49 135.58 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 64.11 110.842 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.48 99.6 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 74.23 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -104.5 171.64 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 72.33 110.91 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.21 -11.01 59.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 73.33 110.884 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.52 113.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 73.04 111.113 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -68.71 -22.42 64.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.33 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -58.37 -24.97 61.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 71.23 110.826 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -75.66 -6.28 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 72.24 110.865 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -25.01 6.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.874 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -20.71 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.947 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.58 -20.71 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 73.45 111.138 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.59 -30.04 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.81 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 62.11 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.42 -25.06 17.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.11 111.112 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -77.43 -26.3 51.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.89 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -101.58 36.41 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 74.53 110.902 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.9 -27.54 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 75.14 111.097 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.31 139.12 14.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 73.1 112.456 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -96.11 146.56 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 75.13 110.832 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -99.02 -178.8 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 70.44 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -105.85 -51.05 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.908 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.1 -56.27 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 73.11 112.481 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.45 36.86 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 61.42 111.076 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.7 pt -56.1 -26.87 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.23 111.079 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.05 -34.39 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.133 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.21 98.49 2.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 74.42 112.478 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -45.12 95.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 65.32 110.898 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.33 151.77 51.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 75.2 110.882 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -140.87 150.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 74.43 111.129 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.81 -19.86 42.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 63.02 112.484 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.8 -21.16 43.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 63.53 112.5 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.3 m -101.62 -26.02 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 72.41 111.116 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.35 111.118 179.899 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.784 0.326 . . . . 74.24 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.36 165.45 35.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.097 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -90.57 142.11 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 71.4 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -103.94 17.96 23.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.845 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -80.03 114.52 19.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.866 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -121.81 -178.03 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 63.24 110.897 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -75.34 -67.1 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.861 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.8 t -161.18 141.42 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.88 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.38 -99.22 2.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 72.11 112.478 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -159.01 171.61 19.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.902 0.382 . . . . 74.31 110.906 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.19 -11.13 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 70.4 110.882 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -51.37 113.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 72.4 111.114 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -66.12 -23.14 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 63.21 110.871 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -58.36 -24.96 61.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 61.3 110.866 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -75.68 -6.27 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.951 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -51.74 -24.98 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 72.43 110.897 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.71 24.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.875 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.67 -20.62 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 65.14 111.149 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.68 -30.03 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 75.41 110.815 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.83 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.845 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.69 -28.33 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 72.24 111.116 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -76.08 -26.34 56.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.866 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -105.0 38.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.896 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 m -78.06 -29.78 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.54 111.166 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.58 115.32 5.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 74.44 112.454 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 t -106.43 157.43 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 74.24 110.877 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -122.31 152.86 39.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.888 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -53.69 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.883 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.99 -25.68 4.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 64.33 112.502 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.8 44.72 13.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 74.52 111.084 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 pt -54.74 -27.7 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 75.25 111.114 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.1 mt -79.31 -41.36 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 75.31 111.101 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.28 98.81 1.06 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 75.31 112.492 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.48 -48.38 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 74.34 110.945 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mtp -111.56 132.93 54.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.852 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.69 134.18 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 73.3 111.136 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.49 -20.13 63.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 72.52 112.448 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.69 -21.14 66.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 72.43 112.484 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 m -114.11 -38.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 72.43 111.101 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 64.21 111.132 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 73.24 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.02 176.31 5.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.21 111.074 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -90.91 140.52 29.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 75.01 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -93.86 -22.65 18.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 72.45 110.883 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -70.13 84.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.864 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -115.05 -43.34 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.876 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -129.96 141.03 50.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.865 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.63 127.22 32.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.862 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.08 -75.61 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 53.54 112.443 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -166.39 171.64 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 74.23 110.928 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -10.75 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 70.02 110.879 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.5 113.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.11 111.109 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -63.48 -22.27 66.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 75.44 110.867 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -61.46 -18.5 59.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.822 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -75.34 -6.37 49.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.896 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -24.96 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 75.2 110.892 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -20.44 26.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.908 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.85 -20.55 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 71.12 111.166 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -49.78 -29.7 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 75.4 110.914 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.79 -29.71 20.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.898 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.16 -28.5 21.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.13 111.092 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -79.19 -20.63 47.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.9 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.28 32.37 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.25 110.86 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.4 m -78.75 -25.7 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.03 111.154 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.29 123.32 7.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 72.14 112.448 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.8 m -96.5 153.72 17.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.894 0.378 . . . . 75.34 110.849 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -106.7 175.91 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 71.33 110.9 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -109.39 -27.93 9.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.879 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.85 -53.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 74.32 112.512 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.73 38.19 29.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 65.32 111.042 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.5 pt -61.05 -25.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 73.13 111.166 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.8 mt -76.38 -33.65 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 73.34 111.152 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.66 109.39 3.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 65.51 112.526 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.42 -40.74 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 60.23 110.919 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mmt -133.68 155.13 50.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.864 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t -133.05 141.12 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.11 111.133 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.84 -21.47 61.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 73.14 112.466 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.15 -28.48 56.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.727 -0.749 . . . . 75.45 112.471 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.1 t -91.69 -37.09 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 74.21 111.106 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 65.13 111.113 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.827 0.346 . . . . 73.53 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.35 174.08 11.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 65.12 111.106 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -123.76 149.25 45.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.898 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -111.69 -28.5 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 64.21 110.852 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.62 154.73 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.03 110.851 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -90.6 -55.99 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.24 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -157.64 151.14 23.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.51 110.871 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 p -171.22 146.56 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.883 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.11 46.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.707 -0.758 . . . . 73.25 112.462 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -107.8 171.04 7.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.84 0.352 . . . . 73.25 110.912 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -79.3 -21.15 46.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 73.25 110.883 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.11 114.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 74.21 111.1 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -80.36 -22.29 41.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 73.13 110.89 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -58.34 -25.42 61.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.914 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -75.72 -6.35 50.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.929 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -51.63 -25.03 6.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.02 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.74 24.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 70.43 110.907 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.55 -20.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.089 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.58 -30.1 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.45 -29.75 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.916 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.31 -24.61 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 74.34 111.084 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -77.69 -26.09 49.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 75.34 110.85 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -101.24 36.33 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -79.03 -25.66 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.179 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.9 165.61 19.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 60.41 112.494 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -93.02 131.87 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 75.32 110.859 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -106.73 -68.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 65.53 110.883 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 62.24 17.77 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 73.13 110.903 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.12 37.15 2.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 55.23 112.443 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.96 29.49 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 73.53 111.091 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.3 pt -63.94 -26.89 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.41 111.143 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mp -67.8 -28.2 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.171 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.55 119.52 6.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 73.21 112.456 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tp -52.71 -36.65 57.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 72.13 110.877 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.3 146.71 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.904 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.8 m -100.61 164.17 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 74.55 111.132 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.99 -19.79 46.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 73.14 112.517 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.94 -41.48 82.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 62.31 112.483 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 m -81.18 -25.36 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.376 . . . . 72.21 111.157 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.156 179.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.835 0.35 . . . . 70.42 110.864 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.78 165.5 28.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.42 111.108 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -91.71 135.09 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 73.12 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -105.92 -32.35 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 73.54 110.876 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 mtm-85 -61.41 114.36 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.14 110.899 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -90.02 -46.74 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.3 -74.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 65.01 110.892 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t 51.67 51.87 15.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 70.21 110.877 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.34 37.98 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 72.02 112.484 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -125.98 170.95 11.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 65.35 110.91 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.33 -20.99 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.927 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -51.23 114.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 71.51 111.098 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -82.48 -20.75 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.54 110.853 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -60.4 -23.37 64.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.842 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -75.46 -6.38 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.942 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -24.92 6.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 73.53 110.913 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -20.72 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.92 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.59 -20.67 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.176 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.61 -30.05 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.15 110.913 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.48 -29.77 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.849 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.3 -24.36 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 65.31 111.086 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -79.27 -11.22 59.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.826 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.83 29.08 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.864 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.4 -28.68 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 74.21 111.132 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.93 156.45 22.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 70.13 112.495 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -105.08 147.62 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 72.11 110.861 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -89.82 100.85 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -83.57 -55.21 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.893 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.08 94.0 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 63.14 112.467 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.32 42.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.714 0.293 . . . . 63.42 111.071 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.4 pt -63.77 -26.34 40.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 65.11 111.146 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -78.53 -26.91 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.44 111.145 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.82 107.43 3.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 72.22 112.456 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.56 -38.53 70.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 74.12 110.956 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.7 ptp -138.75 152.69 48.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.874 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.41 156.82 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.11 111.135 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.23 -19.8 58.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 71.01 112.497 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.49 -21.77 49.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 73.13 112.478 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.4 m -106.18 -27.48 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 71.44 111.123 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 75.21 111.125 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.787 0.327 . . . . 73.53 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.87 151.94 22.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 73.11 111.104 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.71 127.24 33.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.873 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -80.54 -30.1 37.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 72.21 110.879 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -90.91 160.04 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 73.35 110.878 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -85.27 143.25 28.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 75.42 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -55.96 -26.4 47.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 73.13 110.928 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -56.53 152.99 10.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.855 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.87 81.09 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 61.34 112.489 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -100.55 171.62 7.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 73.32 110.924 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.27 -11.05 59.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.866 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.42 113.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.01 111.127 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -74.08 -21.68 59.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.851 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -58.3 -25.46 61.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 73.13 110.877 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -75.74 -6.28 49.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 75.34 110.855 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -51.65 -25.05 6.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.903 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.68 24.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 64.1 110.928 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.6 -20.68 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.13 111.101 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.66 -29.99 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.875 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.81 17.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 75.31 110.87 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.46 -25.08 16.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 64.32 111.127 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -76.44 -26.27 55.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 74.14 110.914 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -103.55 36.44 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 65.11 110.937 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -77.68 -26.17 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.02 111.101 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.22 165.33 31.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 41.21 112.486 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -93.21 125.25 37.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 75.21 110.836 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -107.35 -73.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 71.52 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt 62.67 19.36 11.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 72.12 110.887 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.39 -111.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 74.21 112.491 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.06 37.0 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 71.22 111.1 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.4 pt -57.59 -27.25 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.12 111.166 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mm -77.9 -39.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 75.24 111.134 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.6 128.06 8.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 65.33 112.504 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 tt -63.56 -41.24 98.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 73.24 110.917 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ptp -147.35 151.35 36.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.881 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -123.97 142.4 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.11 111.095 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.85 -20.58 57.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 72.05 112.47 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.45 -20.94 53.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 65.2 112.466 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -91.63 -43.51 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.814 0.34 . . . . 54.22 111.098 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.4 111.14 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.949 0.404 . . . . 73.51 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -115.89 -33.93 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 71.34 110.877 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -130.0 130.15 44.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 72.44 110.849 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -117.52 45.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.33 110.848 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -173.07 150.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 71.51 110.85 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.4 m -64.3 172.7 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.896 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.76 -80.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 64.25 112.496 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.792 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -152.28 171.61 17.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 74.35 110.953 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -79.3 -11.07 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 71.54 110.865 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.42 113.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.1 111.177 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -74.26 -21.66 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -58.35 -25.41 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.841 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.545 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.1 pt20 -75.72 -6.28 49.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 72.41 110.946 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -51.69 -24.99 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.02 110.921 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.66 24.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.92 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.75 -20.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 73.34 111.112 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.71 -29.86 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 64.45 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.65 -29.71 18.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 62.41 110.871 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.63 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.84 -24.29 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 75.01 111.09 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -79.15 -23.27 44.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -87.1 51.88 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 54.44 110.889 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.1 m -79.3 -29.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 64.41 111.154 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.75 162.24 25.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 74.51 112.506 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -125.85 124.99 42.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.372 . . . . 51.41 110.875 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -65.08 144.2 57.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 63.34 110.882 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -73.09 -52.49 14.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.889 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.76 112.77 0.6 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.76 . . . . 64.34 112.476 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.46 30.0 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 73.44 111.058 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.0 pt -55.29 -26.54 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 63.21 111.148 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.53 -31.01 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 72.34 111.107 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.34 111.68 3.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 64.11 112.538 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.0 -32.83 74.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 63.23 110.912 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.5 mmm -137.08 162.3 33.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 74.45 110.909 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.688 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.6 t -115.43 141.43 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 43.4 111.145 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.16 -20.61 54.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 75.25 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.688 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -54.16 -36.4 56.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 50.44 112.477 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.686 HG23 HG23 ' A' ' 40' ' ' VAL . 34.0 m -105.39 -25.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 72.44 111.113 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.686 HG23 HG23 ' A' ' 39' ' ' VAL . 57.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 71.42 111.163 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.833 0.349 . . . . 71.13 110.917 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -84.37 -171.14 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.881 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -52.81 107.89 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.23 110.838 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -72.28 -27.13 62.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.884 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -65.01 177.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -87.2 -52.78 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 65.42 110.904 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.51 -62.23 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 55.42 112.468 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.799 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -149.17 171.03 17.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 72.31 110.885 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -79.33 -21.03 46.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 73.51 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.799 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.3 p -51.2 114.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 65.2 111.1 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -67.43 -22.18 65.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.827 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -58.32 -22.39 52.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.83 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.558 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.5 pt20 -75.31 -6.4 49.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 71.1 110.933 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -25.02 6.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.898 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -20.62 25.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 71.51 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.63 -20.6 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 64.13 111.142 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.71 -30.0 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.864 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.48 -29.76 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 73.13 110.867 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -92.7 -25.73 18.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 54.2 111.091 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -77.41 -26.22 51.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.911 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -101.62 36.32 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.866 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.5 m -78.85 -27.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 54.45 111.142 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.78 107.22 0.69 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 42.31 112.446 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -90.58 160.05 16.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 55.51 110.86 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -75.87 -179.01 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.899 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.24 -30.7 13.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.888 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.35 -65.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 32.52 112.469 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.97 30.09 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.713 0.292 . . . . 75.23 111.102 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 pt -58.18 -26.6 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.8 mt -56.56 -31.36 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.54 111.127 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.5 139.79 15.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 75.43 112.484 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.44 -36.99 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 73.02 110.937 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.83 154.85 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 61.53 110.898 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.532 HG23 HG22 ' A' ' 39' ' ' VAL . 33.2 m -98.89 152.89 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 62.3 111.099 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.4 -20.07 49.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 42.32 112.492 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.02 -28.86 69.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 53.4 112.502 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.532 HG22 HG23 ' A' ' 36' ' ' VAL . 34.9 m -81.03 -31.86 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 71.12 111.12 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.423 HG22 HG23 ' A' ' 39' ' ' VAL . 26.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.21 111.108 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.851 0.357 . . . . 73.01 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -114.15 -170.24 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 74.15 110.832 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 151.71 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 73.45 110.872 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -75.83 -71.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 64.4 110.873 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -156.97 174.79 14.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 62.43 110.85 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -64.21 132.02 49.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 63.23 110.832 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.38 -33.32 2.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.77 . . . . 74.31 112.439 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.757 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -111.8 171.59 7.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 75.25 110.945 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -79.26 -11.06 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 64.51 110.852 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.757 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.53 113.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 60.33 111.091 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -79.2 -22.33 45.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.891 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -58.39 -25.45 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 72.21 110.854 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.554 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.3 pt20 -75.71 -6.29 49.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 74.25 110.901 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -51.68 -25.02 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.905 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.7 24.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 72.15 110.932 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.59 -20.64 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.15 111.149 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.61 -30.07 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.83 17.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 74.42 110.904 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -94.19 -24.88 17.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 63.53 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -77.39 -26.25 51.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 63.22 110.895 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -101.53 36.52 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.22 110.871 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -79.09 -25.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.148 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.34 149.69 16.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.746 . . . . 55.44 112.446 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.2 p -109.38 163.96 12.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 74.33 110.849 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -116.54 173.93 6.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 71.4 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -79.11 -55.86 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 70.14 110.92 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.01 124.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 74.14 112.521 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.43 37.49 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 60.13 111.12 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 pt -55.77 -30.29 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 70.22 111.089 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.8 mt -71.88 -28.36 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 63.13 111.129 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.66 123.68 7.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 71.55 112.503 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -51.74 60.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 72.45 110.893 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -137.87 154.92 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.851 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 38' ' ' GLY . 32.0 t -107.24 144.63 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 72.35 111.129 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.07 -31.83 59.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.709 . . . . 53.22 112.453 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.574 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -70.58 -26.12 74.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 70.14 112.443 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.4 t -89.59 -25.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 72.44 111.078 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.179 179.908 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.872 0.367 . . . . 64.44 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -70.52 -178.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.945 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -55.31 108.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.871 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -109.28 29.55 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 54.12 110.842 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -128.87 166.68 18.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.41 110.914 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -54.42 168.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 35.55 110.877 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.61 -90.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 72.43 112.506 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.79 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -143.24 171.6 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 74.12 110.937 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.22 -11.08 59.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 63.5 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.79 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.47 113.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 61.11 111.111 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -75.95 -21.72 56.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.816 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -58.35 -25.43 61.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 73.55 110.917 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.557 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.2 pt20 -75.75 -6.2 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.932 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -51.74 -24.96 6.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 55.31 110.909 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.75 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.924 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.54 -20.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.35 111.137 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.63 -30.03 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 64.05 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.39 -29.88 17.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.22 110.89 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.44 -25.08 17.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 75.24 111.114 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -77.57 -26.34 50.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.1 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.18 36.44 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 61.14 110.867 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.2 m -79.19 -25.72 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 74.25 111.158 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.47 157.07 22.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.754 . . . . 70.35 112.473 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -114.85 142.03 47.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 51.22 110.827 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -86.03 155.7 20.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 75.13 110.904 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -82.33 -48.66 10.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 75.55 110.913 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.26 -79.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 71.23 112.442 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.74 44.96 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 73.33 111.05 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.8 pt -76.43 -27.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 65.22 111.133 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.85 -26.89 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 72.21 111.152 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.67 119.7 6.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 31.21 112.462 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.57 -51.05 71.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 71.55 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.8 mmt -136.82 161.51 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 51.34 110.833 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.669 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.0 t -114.32 142.47 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 72.02 111.093 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.5 -19.62 54.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 30.15 112.482 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.669 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -67.55 -23.44 73.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 61.15 112.506 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 m -112.72 -27.36 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 74.24 111.146 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 36' ' ' VAL . 11.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 74.33 111.129 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.842 0.353 . . . . 73.25 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -90.84 -32.15 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 65.11 110.864 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -52.15 123.6 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 51.21 110.874 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -117.54 178.49 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.887 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -73.79 -64.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -150.01 156.25 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.856 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.56 -98.42 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 64.2 112.479 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.767 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -165.86 171.56 12.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 72.42 110.877 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -79.21 -10.58 59.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 72.25 110.871 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.54 113.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 74.05 111.128 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -67.01 -22.46 65.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.922 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -58.38 -24.45 59.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.54 110.83 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.551 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.8 pt20 -75.6 -6.34 49.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.936 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -24.98 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 53.12 110.902 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -20.73 25.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.45 110.862 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.61 -20.62 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.158 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.62 -30.0 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.909 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.45 -29.79 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.887 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -92.98 -25.52 17.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 42.14 111.086 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -77.37 -26.33 51.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 72.31 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.46 31.76 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.856 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 21' ' ' ALA . 15.4 m -67.35 -30.68 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 75.44 111.162 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.28 101.28 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 63.2 112.494 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 t -169.7 165.4 10.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.389 . . . . 70.14 110.822 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m120 60.1 48.49 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 75.22 110.923 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.12 -25.59 67.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.911 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.19 -43.9 0.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 70.13 112.488 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.65 40.9 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 74.52 111.106 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.6 pt -69.27 -27.36 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.25 111.168 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.23 -29.75 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.11 111.164 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.11 115.1 1.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 64.12 112.484 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.9 -27.44 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.79 0.329 . . . . 72.35 110.907 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.9 mtp -137.11 164.34 28.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 70.11 110.847 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.745 HG12 ' H ' ' A' ' 38' ' ' GLY . 21.8 t -135.6 138.87 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 74.4 111.151 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.52 -21.06 79.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 74.53 112.502 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.745 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -52.77 -27.71 28.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 71.33 112.465 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 36' ' ' VAL . 34.3 m -67.39 -32.54 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 74.24 111.159 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 72.23 111.137 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.863 0.363 . . . . 72.15 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -124.07 163.81 20.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.902 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 146.29 33.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.89 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -128.12 105.43 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 70.15 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -166.35 164.42 17.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 72.4 110.89 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t -96.48 105.12 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 70.32 110.867 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.73 -66.72 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 62.13 112.497 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.785 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -123.83 171.62 9.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.35 . . . . 71.51 110.924 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -11.18 59.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 61.41 110.879 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.785 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.47 113.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.4 111.093 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -73.28 -22.5 60.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.871 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -58.22 -22.84 53.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.827 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.545 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.57 -6.37 49.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 64.24 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -24.98 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 73.53 110.95 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -20.59 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.967 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.64 -20.64 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 61.41 111.158 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.62 -30.02 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.88 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.84 17.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 72.35 110.868 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -83.16 -33.34 26.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 54.12 111.143 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -74.58 -26.32 59.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 61.52 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.49 41.46 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.917 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -78.77 -26.84 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.161 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.3 147.8 19.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 70.04 112.496 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -111.73 149.03 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 73.21 110.868 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -112.33 139.54 47.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 60.41 110.915 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -69.82 -32.56 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.02 110.934 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.66 116.48 0.77 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 70.52 112.485 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.45 32.39 6.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 53.53 111.049 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.0 pt -66.5 -27.06 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 63.03 111.119 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.5 mt -54.31 -28.61 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 71.03 111.1 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.8 123.44 6.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 32.13 112.493 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.5 tp -55.28 -35.77 65.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 74.31 110.913 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -143.35 157.3 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 64.03 110.938 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.709 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.9 t -105.63 132.08 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 75.33 111.119 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.53 -22.18 74.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 42.52 112.517 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.709 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -52.6 -39.91 54.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 52.12 112.497 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.9 m -88.59 -27.84 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 71.35 111.156 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 74.21 111.136 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.913 0.387 . . . . 74.2 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -103.99 -30.61 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.878 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -52.08 124.23 12.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 63.44 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -154.44 173.36 16.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.884 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -56.14 155.26 6.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 72.1 110.823 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.4 p -55.16 107.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 70.45 110.84 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.21 -63.28 5.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 32.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.752 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -162.04 171.59 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 74.44 110.916 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.17 -11.02 59.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 74.45 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.752 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.42 113.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 73.24 111.103 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -65.93 -23.29 66.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 61.4 110.866 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -59.87 -20.64 58.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 75.21 110.836 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.555 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.46 -6.38 49.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 70.31 110.89 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -24.97 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 64.51 110.884 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -20.67 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.01 110.876 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.63 -20.64 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 53.23 111.134 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.69 -29.93 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.45 110.843 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.5 -29.83 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 62.32 110.911 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -91.52 -26.39 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 71.32 111.089 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -77.26 -25.94 52.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.12 110.918 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -101.89 34.32 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 71.14 110.887 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 21' ' ' ALA . 25.3 m -79.12 -28.4 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 44.23 111.177 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.99 130.0 10.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 61.02 112.514 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.7 m -113.47 109.51 18.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 63.52 110.85 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -54.18 124.47 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 72.54 110.834 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -58.27 -49.02 78.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 62.22 110.863 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.73 93.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 64.02 112.497 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.2 40.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 72.41 111.119 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 pt -55.78 -25.96 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 52.15 111.136 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -78.42 -37.37 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 70.12 111.13 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.25 124.18 7.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 73.33 112.476 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.96 -45.47 20.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.768 0.318 . . . . 73.33 110.91 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -150.28 160.8 43.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.882 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -126.95 165.68 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 71.23 111.138 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.93 -21.91 68.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 61.24 112.49 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.28 -39.17 96.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 53.52 112.485 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.7 t -75.45 -44.59 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 62.43 111.164 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 64.22 111.109 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.919 0.39 . . . . 62.21 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -52.36 -30.81 30.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.845 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.61 109.34 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 62.42 110.896 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -107.23 26.97 9.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.835 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.91 -33.84 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 70.01 110.865 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.41 160.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 72.45 110.813 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.94 40.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 51.04 112.459 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.778 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -137.98 171.63 14.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.871 0.367 . . . . 75.21 110.918 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -79.22 -11.87 59.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 73.43 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.778 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.8 p -51.29 114.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 50.22 111.152 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -79.38 -22.33 44.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 65.52 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -58.38 -25.46 62.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.863 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.546 ' O ' HG12 ' A' ' 18' ' ' VAL . 7.4 pt20 -75.82 -6.25 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 74.22 110.88 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -51.65 -25.08 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.897 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -20.67 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.908 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.4 p -55.63 -20.64 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 54.02 111.127 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.63 -30.04 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 52.45 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.41 -29.82 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 61.45 110.889 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.625 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -96.43 -23.09 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 50.33 111.099 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -78.36 -22.6 47.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 73.23 110.918 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.05 51.94 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 52.2 110.871 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.2 m -79.28 -28.04 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.145 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.7 161.75 13.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 65.11 112.488 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 p -103.73 140.38 37.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.928 0.394 . . . . 75.34 110.857 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -63.27 123.81 19.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.94 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -76.52 -46.16 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.14 110.908 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.14 119.57 0.89 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 53.22 112.52 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.49 48.93 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 43.05 111.119 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.9 pt -56.24 -25.77 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 71.41 111.126 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.2 -30.33 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 62.52 111.127 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.61 99.08 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 71.14 112.467 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mp -55.54 -52.37 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.351 . . . . 70.33 110.902 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -134.18 150.08 51.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.901 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.38 161.59 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 71.45 111.123 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.98 -23.18 62.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 74.24 112.512 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.18 -22.21 55.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 41.4 112.451 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.626 HG23 HG23 ' A' ' 40' ' ' VAL . 30.9 m -111.46 -29.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 62.33 111.14 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.626 HG23 HG23 ' A' ' 39' ' ' VAL . 59.2 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 75.15 111.151 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.882 0.373 . . . . 75.21 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.476 ' CB ' ' HB1' ' A' ' 21' ' ' ALA . 16.6 p90 -109.6 21.79 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 72.43 110.935 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -96.72 55.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 65.34 110.876 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -75.51 -36.61 60.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 61.15 110.818 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -103.72 143.79 32.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.35 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -63.53 170.3 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.872 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.75 97.59 2.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 65.55 112.537 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.79 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.9 t80 -96.97 171.07 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 70.22 110.894 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.36 -21.05 46.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 74.33 110.89 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.79 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.4 p -51.15 114.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 73.31 111.123 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -69.42 -22.44 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.88 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -58.3 -25.18 61.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 61.24 110.841 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.59 -6.37 50.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 61.3 110.913 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -51.73 -24.96 6.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.41 110.902 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -20.69 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 63.24 110.891 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.67 -20.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.14 111.095 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.64 -29.96 8.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.895 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.84 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 55.45 110.917 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.45 -25.06 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 61.41 111.154 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.79 -26.22 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 71.34 110.896 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -102.84 37.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.905 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.1 m -78.98 -28.32 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 74.3 111.165 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.83 152.87 21.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.72 . . . . 73.52 112.527 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 t -91.52 141.76 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 73.44 110.859 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -96.86 -177.96 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 74.1 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -108.46 -64.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.34 110.879 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.36 118.41 0.83 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.735 . . . . 71.31 112.491 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.41 31.12 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 53.24 111.116 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 pt -57.51 -26.12 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 72.14 111.14 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.7 mt -63.21 -35.38 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.4 111.135 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.83 153.19 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 61.44 112.5 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.62 -49.26 63.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 74.13 110.943 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.509 ' HB3' HG21 ' A' ' 40' ' ' VAL . 37.6 mtt -147.19 160.05 42.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.843 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.727 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.9 t -118.84 139.46 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 54.41 111.153 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.65 -19.63 58.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 33.22 112.489 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.727 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -68.88 -24.44 75.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 74.35 112.506 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -112.15 -36.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 62.44 111.09 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 36' ' ' VAL . 27.0 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 65.2 111.124 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.889 0.376 . . . . 75.31 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -53.16 171.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 73.31 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.82 174.73 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 70.1 110.841 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -67.51 -72.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 63.41 110.868 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -123.43 -73.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 65.53 110.866 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.3 m 52.11 47.96 23.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 55.31 110.848 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 92.45 1.06 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 72.1 112.535 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.755 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -145.84 171.67 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 74.2 110.919 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -79.29 -11.14 59.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 70.4 110.863 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.755 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.7 p -51.38 113.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 60.21 111.129 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -72.92 -20.89 60.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.85 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -61.11 -18.9 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 62.11 110.812 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.4 pt20 -75.28 -6.41 49.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 75.24 110.871 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -24.97 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 65.02 110.854 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -20.58 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 55.31 110.881 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.76 -20.57 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 61.34 111.09 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.69 -29.84 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 60.23 110.893 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.69 -29.71 19.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 63.3 110.886 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 24' ' ' VAL . . . -92.4 -25.33 18.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 63.51 111.122 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -78.39 -25.19 46.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.883 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -96.74 26.29 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.54 110.873 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 21' ' ' ALA . 27.0 m -79.22 -26.5 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.05 111.096 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.29 115.77 4.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 44.32 112.483 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -93.57 117.73 30.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 73.53 110.885 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 18.9 p30 -73.48 168.35 19.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.893 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -93.96 -29.87 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.32 110.867 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.41 -45.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 73.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' ND2' ' A' ' 27' ' ' ASN . . . 60.04 27.32 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 75.4 111.088 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.1 pt -56.12 -25.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.42 111.118 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.1 -28.29 44.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 61.21 111.145 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.57 120.43 2.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 60.24 112.473 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 mt -52.11 -55.92 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.341 . . . . 74.13 110.894 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.2 153.75 51.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 52.35 110.899 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.655 HG12 ' H ' ' A' ' 38' ' ' GLY . 23.6 t -108.42 143.55 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 51.54 111.181 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.35 -25.97 63.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.812 -0.709 . . . . 32.55 112.479 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.655 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -66.1 -27.95 73.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 60.1 112.462 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.4 t -89.33 -39.31 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 73.33 111.1 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 73.21 111.123 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.882 0.373 . . . . 71.33 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -102.19 -31.79 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.912 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -52.39 111.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 71.32 110.859 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -137.71 163.57 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.884 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.61 175.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.873 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -59.36 109.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 64.31 110.844 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.48 -78.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 52.34 112.464 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.76 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -151.55 171.62 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 54.13 110.955 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.23 -10.88 59.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.864 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.76 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.49 113.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 51.01 111.09 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -69.17 -21.12 64.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 55.43 110.866 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -62.46 -17.29 59.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 54.44 110.802 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.558 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.8 pt20 -75.34 -6.41 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.24 110.887 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -51.72 -25.0 6.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.894 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -20.61 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 43.5 110.893 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.58 -20.65 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 71.03 111.126 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -49.63 -30.0 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.899 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.47 -29.8 17.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.901 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -92.7 -25.72 18.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 72.21 111.125 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.66 -26.27 54.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.83 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -103.35 36.47 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 65.12 110.833 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 21' ' ' ALA . 20.9 m -78.95 -31.98 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 65.34 111.119 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.73 145.64 17.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 74.12 112.502 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.0 m -103.91 139.25 39.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 50.24 110.871 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -78.08 144.56 36.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.14 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -52.55 -53.39 46.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 64.25 110.902 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.24 111.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 64.22 112.493 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.29 42.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 65.13 111.07 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.9 pt -74.81 -28.33 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 64.51 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mt -75.26 -31.39 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 71.22 111.127 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.99 113.34 4.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 72.4 112.513 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.69 -49.09 77.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.332 . . . . 73.41 110.914 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.9 ptp -164.77 141.75 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 71.41 110.885 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 m -119.76 152.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 73.34 111.134 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.18 -20.99 76.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 33.42 112.491 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.49 -22.78 66.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.8 -0.714 . . . . 74.31 112.479 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.25 -33.29 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 73.1 111.135 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 40.32 111.141 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.896 0.379 . . . . 73.41 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -130.07 -170.14 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.815 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 129.65 45.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.895 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.42 57.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.907 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -136.52 169.59 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.884 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.7 p -71.5 159.68 34.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 72.02 110.853 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.64 -53.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 40.23 112.448 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.777 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -156.18 171.59 19.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 74.34 110.946 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -79.2 -11.23 59.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.948 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.777 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.45 113.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 75.22 111.157 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -75.25 -19.86 59.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.84 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -62.37 -17.29 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 72.23 110.843 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 pt20 -75.34 -6.44 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.05 110.879 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -51.75 -24.96 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 75.13 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -20.61 24.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 64.34 110.925 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.66 -20.61 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.133 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -49.6 -30.04 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 63.52 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.41 -29.86 17.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 52.34 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.522 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.61 -25.21 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 72.51 111.134 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -76.61 -26.72 55.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.54 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.62 41.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 64.33 110.9 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 21' ' ' ALA . 20.7 m -79.03 -25.85 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.33 111.12 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.66 134.16 7.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 71.31 112.511 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.3 p -91.46 143.31 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 72.32 110.883 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -85.2 155.48 21.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.5 110.864 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -63.37 -45.59 90.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 53.44 110.91 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.93 -41.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 44.43 112.479 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.09 47.13 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.72 0.295 . . . . 64.12 111.124 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 pt -65.12 -25.34 37.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 51.31 111.143 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.491 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.4 mp -75.69 -37.93 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.118 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.99 119.43 5.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 62.33 112.512 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.89 -55.22 28.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 73.23 110.932 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.1 ptp -148.76 158.35 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.875 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -96.76 159.34 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 74.41 111.121 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.16 -19.97 47.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 53.42 112.495 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.97 -29.76 59.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 63.12 112.486 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -91.85 -29.83 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 73.41 111.13 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 70.51 111.132 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.794 0.33 . . . . 63.44 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -111.81 21.92 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 63.55 110.894 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.97 176.77 10.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.892 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -118.09 -44.19 2.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 73.05 110.815 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -145.87 122.18 10.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.52 110.838 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 t -155.89 157.45 36.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 54.21 110.851 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.13 75.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 63.25 112.483 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.768 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -144.73 171.02 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 62.52 110.98 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.37 -21.03 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 72.34 110.9 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.768 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.5 p -51.16 114.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 63.43 111.154 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.44 -22.3 41.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.835 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -58.36 -25.47 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 51.32 110.878 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.546 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.4 pt20 -75.75 -6.25 49.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -51.69 -25.06 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.909 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.69 24.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.909 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.62 -20.61 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.153 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.64 -30.02 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.46 -29.79 17.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.845 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.655 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.95 -25.11 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 61.1 111.136 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -79.25 -18.22 53.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 54.12 110.936 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.84 48.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 73.52 110.869 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 21' ' ' ALA . 17.4 m -79.24 -28.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.128 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.03 150.78 21.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 74.13 112.456 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -103.2 119.93 39.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 74.2 110.868 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -79.21 149.53 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 70.24 110.918 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -117.15 -74.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.49 112.75 3.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 53.12 112.466 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.1 42.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.306 . . . . 44.41 111.088 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.9 pt -72.19 -25.39 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 75.32 111.13 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.9 mm -74.23 -27.79 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 64.34 111.144 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.55 146.8 16.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 72.45 112.513 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.5 tp -77.4 -41.34 40.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 71.21 110.94 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.8 mtt -145.99 161.44 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.853 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.602 HG12 ' H ' ' A' ' 38' ' ' GLY . 24.4 t -95.06 139.84 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 64.22 111.112 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.33 -31.91 75.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 55.13 112.467 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.602 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -58.03 -34.3 72.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 52.44 112.511 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.5 t -86.16 -27.37 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 74.41 111.116 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.41 111.09 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.861 0.362 . . . . 63.42 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -112.54 18.13 18.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 75.41 110.865 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -86.92 85.97 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 71.54 110.86 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -124.78 153.55 42.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 71.31 110.824 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.19 109.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 54.33 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -164.95 137.39 4.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.852 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.66 83.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 53.34 112.466 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.771 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -136.08 171.6 14.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 62.03 110.944 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.23 -11.19 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 64.13 110.913 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.771 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.7 p -51.38 113.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 74.01 111.148 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -79.22 -22.27 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 64.03 110.889 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -58.34 -25.54 62.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.7 pt20 -75.69 -6.24 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.924 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -51.74 -24.98 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.87 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -20.69 24.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.931 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.57 -20.71 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 72.21 111.15 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.54 -30.08 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.902 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.84 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 63.03 110.834 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.54 -25.57 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 65.21 111.088 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -76.22 -26.71 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.03 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 39' ' ' VAL . 2.5 t70 -107.55 42.51 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 73.43 110.926 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 21' ' ' ALA . 21.4 m -78.13 -25.51 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 70.52 111.116 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.84 100.92 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.777 -0.725 . . . . 74.34 112.476 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.5 p -170.7 122.66 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 63.33 110.813 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -165.84 136.03 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 72.42 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -32.09 10.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 75.05 110.908 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.84 94.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 73.13 112.469 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.34 27.21 4.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.737 0.303 . . . . 53.13 111.097 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.1 pt -63.0 -25.35 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 70.22 111.15 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -119.59 -31.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 72.53 111.16 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.24 112.17 3.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.725 . . . . 61.13 112.511 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -74.14 -46.85 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 74.51 110.944 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 mmt -127.87 146.8 50.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.865 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 38' ' ' GLY . 21.9 t -98.31 139.25 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 73.1 111.119 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.89 -38.04 59.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 74.52 112.49 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.451 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -61.33 -21.17 59.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 34.34 112.532 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 23' ' ' ASP . 89.7 t -94.54 -39.41 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 65.41 111.101 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.52 111.11 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.925 0.393 . . . . 73.14 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -93.74 17.58 11.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 63.21 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.07 129.81 26.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 54.01 110.876 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -118.21 169.16 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.879 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.33 -28.59 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 64.45 110.878 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 p -57.49 135.58 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 64.11 110.842 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.48 99.6 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 74.23 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.788 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -104.5 171.64 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 72.31 110.91 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.21 -11.01 59.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 73.2 110.884 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.788 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.52 113.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 73.04 111.113 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -68.71 -22.42 64.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.15 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -58.37 -24.97 61.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 71.23 110.826 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.66 -6.28 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 45.12 110.865 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -25.01 6.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.874 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -20.71 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 54.32 110.947 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.58 -20.71 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 73.04 111.138 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.59 -30.04 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.81 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 62.11 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.42 -25.06 17.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 54.22 111.112 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -77.43 -26.3 51.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 64.21 110.89 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -101.58 36.41 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 74.53 110.902 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -78.9 -27.54 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 73.35 111.097 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.31 139.12 14.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 62.22 112.456 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -96.11 146.56 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 75.13 110.832 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -99.02 -178.8 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 70.44 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -105.85 -51.05 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.908 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.1 -56.27 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 61.53 112.481 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.45 36.86 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 60.35 111.076 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.7 pt -56.1 -26.87 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 65.42 111.079 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.05 -34.39 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.133 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.21 98.49 2.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 44.13 112.478 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -60.76 -45.12 95.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 52.42 110.898 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.33 151.77 51.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.882 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.634 HG23 HG22 ' A' ' 39' ' ' VAL . 35.1 m -140.87 150.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.2 111.129 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.81 -19.86 42.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 63.02 112.484 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.8 -21.16 43.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 34.33 112.5 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.634 HG22 HG23 ' A' ' 36' ' ' VAL . 32.3 m -101.62 -26.02 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 71.51 111.116 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.441 HG23 HG23 ' A' ' 39' ' ' VAL . 48.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.35 111.118 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.886 0.374 . . . . 71.4 110.928 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -103.94 17.96 23.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 55.15 110.845 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -80.03 114.52 19.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.866 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -121.81 -178.03 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 63.24 110.897 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -75.34 -67.1 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 63.51 110.861 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.8 t -161.18 141.42 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.88 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.38 -99.22 2.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 62.33 112.478 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.792 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -159.01 171.61 19.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.902 0.382 . . . . 74.31 110.906 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.19 -11.13 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 63.3 110.882 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.37 113.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 71.43 111.114 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -66.12 -23.14 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 63.12 110.871 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -58.36 -24.96 61.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 51.43 110.866 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.559 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.1 pt20 -75.68 -6.27 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.951 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -51.74 -24.98 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 72.43 110.897 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.71 24.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.875 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.67 -20.62 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 65.14 111.149 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.68 -30.03 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 71.55 110.815 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.83 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 54.31 110.845 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -89.69 -28.33 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 72.13 111.116 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -76.08 -26.34 56.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.866 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -105.0 38.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.896 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.4 m -78.06 -29.78 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.54 111.166 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.58 115.32 5.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 61.31 112.454 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 t -106.43 157.43 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 61.41 110.877 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -122.31 152.86 39.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 70.02 110.888 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -53.69 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.883 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.99 -25.68 4.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 64.33 112.502 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.8 44.72 13.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 74.52 111.084 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 pt -54.74 -27.7 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 73.01 111.114 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.1 mt -79.31 -41.36 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 75.31 111.101 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.28 98.81 1.06 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 75.31 112.492 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.48 -48.38 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 73.24 110.945 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mtp -111.56 132.93 54.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.852 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.749 HG12 ' H ' ' A' ' 38' ' ' GLY . 21.9 t -124.69 134.18 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 73.3 111.136 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.49 -20.13 63.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 72.52 112.448 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.749 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -64.69 -21.14 66.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 72.25 112.484 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 m -114.11 -38.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 72.23 111.101 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 36' ' ' VAL . 11.9 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 64.21 111.132 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.912 0.387 . . . . 72.43 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -93.86 -22.65 18.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 54.41 110.883 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -70.13 84.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.864 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -115.05 -43.34 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.876 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -129.96 141.03 50.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.865 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.63 127.22 32.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.862 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.08 -75.61 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 53.54 112.443 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.748 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -166.39 171.64 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 74.23 110.928 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -10.75 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 64.31 110.879 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.748 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.5 113.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.11 111.109 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -63.48 -22.27 66.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 74.43 110.867 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.422 ' H ' HG22 ' A' ' 12' ' ' VAL . 8.9 t60 -61.46 -18.5 59.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 62.3 110.822 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.548 ' HB3' HG13 ' A' ' 12' ' ' VAL . 6.4 pt20 -75.34 -6.37 49.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 64.42 110.896 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -24.96 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 65.55 110.892 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -20.44 26.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 62.54 110.908 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.5 p -55.85 -20.55 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 71.12 111.166 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -49.78 -29.7 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 65.32 110.914 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.79 -29.71 20.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.898 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.49 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -88.16 -28.5 21.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.13 111.092 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -79.19 -20.63 47.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.9 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.28 32.37 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.25 110.86 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 21' ' ' ALA . 17.4 m -78.75 -25.7 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.03 111.154 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.29 123.32 7.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 71.43 112.448 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.8 m -96.5 153.72 17.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.894 0.378 . . . . 75.34 110.849 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -106.7 175.91 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 65.22 110.9 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -109.39 -27.93 9.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.11 110.879 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.85 -53.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 74.32 112.512 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.73 38.19 29.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 65.32 111.042 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.5 pt -61.05 -25.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 72.43 111.166 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.8 mt -76.38 -33.65 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 73.34 111.152 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.66 109.39 3.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 65.51 112.526 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.42 -40.74 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 60.23 110.919 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mmt -133.68 155.13 50.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.864 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.723 HG12 ' H ' ' A' ' 38' ' ' GLY . 24.6 t -133.05 141.12 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.11 111.133 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.84 -21.47 61.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 52.05 112.466 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.723 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -78.15 -28.48 56.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.727 -0.749 . . . . 75.45 112.471 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.1 t -91.69 -37.09 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 65.43 111.106 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 64.13 111.113 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.891 0.377 . . . . 72.53 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -111.69 -28.5 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 54.24 110.852 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.62 154.73 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.03 110.851 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -90.6 -55.99 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.24 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -157.64 151.14 23.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.51 110.871 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 p -171.22 146.56 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 72.0 110.883 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.11 46.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.707 -0.758 . . . . 73.25 112.462 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.777 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -107.8 171.04 7.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.84 0.352 . . . . 72.13 110.912 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -79.3 -21.15 46.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 73.25 110.883 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.777 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.4 p -51.11 114.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 74.21 111.1 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -80.36 -22.29 41.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 73.13 110.89 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -58.34 -25.42 61.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.914 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.557 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.3 pt20 -75.72 -6.35 50.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 53.12 110.929 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -51.63 -25.03 6.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.02 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.74 24.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 62.2 110.907 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.55 -20.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.089 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.58 -30.1 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.45 -29.75 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.916 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -94.31 -24.61 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 60.52 111.084 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -77.69 -26.09 49.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.85 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -101.24 36.33 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -79.03 -25.66 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.179 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.9 165.61 19.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 53.21 112.494 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -93.02 131.87 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 75.32 110.859 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -106.73 -68.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 65.53 110.883 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 62.24 17.77 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 71.1 110.903 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.12 37.15 2.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 55.23 112.443 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.96 29.49 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 73.53 111.091 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.3 pt -63.94 -26.89 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.41 111.143 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.0 mp -67.8 -28.2 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.171 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.55 119.52 6.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 52.34 112.456 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tp -52.71 -36.65 57.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 65.02 110.877 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.3 146.71 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.05 110.904 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 39' ' ' VAL . 20.8 m -100.61 164.17 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 74.55 111.132 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.99 -19.79 46.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 73.14 112.517 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.94 -41.48 82.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 62.31 112.483 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.441 HG23 HG22 ' A' ' 40' ' ' VAL . 19.8 m -81.18 -25.36 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.376 . . . . 72.21 111.157 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.441 HG22 HG23 ' A' ' 39' ' ' VAL . 11.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.32 111.156 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.873 0.368 . . . . 73.12 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -105.92 -32.35 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 65.32 110.876 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 mtm-85 -61.41 114.36 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 53.45 110.899 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -90.02 -46.74 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 65.45 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.3 -74.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 61.2 110.892 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t 51.67 51.87 15.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 70.21 110.877 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.34 37.98 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 72.02 112.484 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.772 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -125.98 170.95 11.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 65.32 110.91 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.33 -20.99 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.927 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.772 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.5 p -51.23 114.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 71.51 111.098 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -82.48 -20.75 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.54 110.853 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -60.4 -23.37 64.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.842 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.561 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.8 pt20 -75.46 -6.38 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.942 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -24.92 6.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 63.35 110.913 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -20.72 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.92 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.59 -20.67 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 72.45 111.176 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.61 -30.05 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.15 110.913 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.48 -29.77 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.849 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.73 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -94.3 -24.36 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 44.5 111.086 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -79.27 -11.22 59.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 72.21 110.826 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.83 29.08 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.864 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 21' ' ' ALA . 5.9 m -57.4 -28.68 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 63.43 111.132 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.93 156.45 22.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 70.13 112.495 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -105.08 147.62 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 72.11 110.861 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -89.82 100.85 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -83.57 -55.21 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.893 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.08 94.0 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 62.2 112.467 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.32 42.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.714 0.293 . . . . 51.23 111.071 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.4 pt -63.77 -26.34 40.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 64.54 111.146 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -78.53 -26.91 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.44 111.145 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.82 107.43 3.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 63.23 112.456 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.8 tt -71.56 -38.53 70.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 71.54 110.956 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.7 ptp -138.75 152.69 48.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.874 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 40' ' ' VAL . 34.4 m -134.41 156.82 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.35 111.135 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.23 -19.8 58.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 71.01 112.497 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.49 -21.77 49.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 73.13 112.478 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.532 HG22 HG23 ' A' ' 36' ' ' VAL . 27.4 m -106.18 -27.48 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 64.24 111.123 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 36' ' ' VAL . 8.5 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 64.13 111.125 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.913 0.387 . . . . 61.2 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -80.54 -30.1 37.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 72.21 110.879 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -90.91 160.04 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 73.35 110.878 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -85.27 143.25 28.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 62.13 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -55.96 -26.4 47.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 73.13 110.928 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -56.53 152.99 10.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.855 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.87 81.09 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 54.33 112.489 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.789 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -100.55 171.62 7.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 73.32 110.924 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.27 -11.05 59.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.866 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.789 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.42 113.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.01 111.127 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -74.08 -21.68 59.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.851 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -58.3 -25.46 61.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 73.1 110.877 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.555 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.8 pt20 -75.74 -6.28 49.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 62.54 110.855 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -51.65 -25.05 6.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 65.1 110.903 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.68 24.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 44.1 110.928 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.2 p -55.6 -20.68 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 54.1 111.101 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.66 -29.99 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.875 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.81 17.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.87 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -95.46 -25.08 16.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 52.22 111.127 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -76.44 -26.27 55.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 74.04 110.914 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -103.55 36.44 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 62.53 110.937 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -77.68 -26.17 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 71.52 111.101 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.22 165.33 31.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 32.43 112.486 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -93.21 125.25 37.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 71.15 110.836 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -107.35 -73.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 71.52 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt 62.67 19.36 11.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 65.11 110.887 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.39 -111.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 74.21 112.491 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.06 37.0 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 44.44 111.1 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.4 pt -57.59 -27.25 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 64.44 111.166 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mm -77.9 -39.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 71.22 111.134 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.6 128.06 8.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 50.21 112.504 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 tt -63.56 -41.24 98.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 72.21 110.917 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ptp -147.35 151.35 36.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 64.35 110.881 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.443 HG23 HG23 ' A' ' 39' ' ' VAL . 31.3 m -123.97 142.4 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.11 111.095 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.85 -20.58 57.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 72.05 112.47 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.45 -20.94 53.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 62.32 112.466 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.443 HG23 HG23 ' A' ' 36' ' ' VAL . 48.2 t -91.63 -43.51 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.814 0.34 . . . . 54.22 111.098 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 71.41 111.14 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 56.8 t0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.804 0.335 . . . . 63.12 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.68 135.18 54.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 61.11 111.066 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -84.8 151.09 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.87 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -115.89 -33.93 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 71.34 110.877 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -130.0 130.15 44.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 72.44 110.849 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -117.52 45.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.33 110.848 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -173.07 150.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 71.51 110.85 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.4 m -64.3 172.7 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.896 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.76 -80.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 64.25 112.496 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.792 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -152.28 171.61 17.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 74.35 110.953 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -79.3 -11.07 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 71.54 110.865 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.42 113.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.1 111.177 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -74.26 -21.66 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -58.35 -25.41 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.841 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.545 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.1 pt20 -75.72 -6.28 49.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 72.41 110.946 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -51.69 -24.99 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.02 110.921 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.66 24.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.92 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.75 -20.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 73.34 111.112 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.71 -29.86 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 64.45 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.65 -29.71 18.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 62.41 110.871 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.63 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.84 -24.29 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 75.01 111.09 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -79.15 -23.27 44.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -87.1 51.88 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 54.44 110.889 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.1 m -79.3 -29.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 64.41 111.154 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.75 162.24 25.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 74.51 112.506 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -125.85 124.99 42.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.372 . . . . 51.41 110.875 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -65.08 144.2 57.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 63.34 110.882 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -73.09 -52.49 14.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.889 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.76 112.77 0.6 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.76 . . . . 64.34 112.476 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.46 30.0 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 73.44 111.058 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.0 pt -55.29 -26.54 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 63.21 111.148 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.53 -31.01 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 72.34 111.107 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.34 111.68 3.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 64.11 112.538 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.0 -32.83 74.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 63.23 110.912 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.5 mmm -137.08 162.3 33.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 74.45 110.909 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.688 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.6 t -115.43 141.43 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 43.4 111.145 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.16 -20.61 54.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 75.25 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.688 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -54.16 -36.4 56.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 50.44 112.477 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.686 HG23 HG23 ' A' ' 40' ' ' VAL . 34.0 m -105.39 -25.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 72.44 111.113 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.686 HG23 HG23 ' A' ' 39' ' ' VAL . 57.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 71.42 111.163 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 75.1 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.87 163.8 23.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 64.21 111.165 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -68.43 166.65 16.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 71.13 110.917 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -84.37 -171.14 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.881 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -52.81 107.89 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.23 110.838 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -72.28 -27.13 62.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.884 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -65.01 177.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -87.2 -52.78 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 65.42 110.904 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.51 -62.23 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 55.42 112.468 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.799 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -149.17 171.03 17.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 72.31 110.885 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -79.33 -21.03 46.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 73.51 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.799 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.3 p -51.2 114.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 65.2 111.1 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -67.43 -22.18 65.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.827 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -58.32 -22.39 52.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.83 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.558 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.5 pt20 -75.31 -6.4 49.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 71.1 110.933 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -25.02 6.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.898 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -20.62 25.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 71.51 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.63 -20.6 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 64.13 111.142 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.71 -30.0 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.864 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.48 -29.76 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 73.13 110.867 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -92.7 -25.73 18.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 54.2 111.091 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -77.41 -26.22 51.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.911 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -101.62 36.32 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.866 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.5 m -78.85 -27.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 54.45 111.142 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.78 107.22 0.69 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 42.31 112.446 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -90.58 160.05 16.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 55.51 110.86 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -75.87 -179.01 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.899 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.24 -30.7 13.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.888 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.35 -65.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 32.52 112.469 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.97 30.09 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.713 0.292 . . . . 75.23 111.102 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 pt -58.18 -26.6 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.8 mt -56.56 -31.36 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.54 111.127 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.5 139.79 15.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 75.43 112.484 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.44 -36.99 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 73.02 110.937 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.83 154.85 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 61.53 110.898 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.532 HG23 HG22 ' A' ' 39' ' ' VAL . 33.2 m -98.89 152.89 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 62.3 111.099 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.4 -20.07 49.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 42.32 112.492 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.02 -28.86 69.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 53.4 112.502 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.532 HG22 HG23 ' A' ' 36' ' ' VAL . 34.9 m -81.03 -31.86 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 71.12 111.12 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.423 HG22 HG23 ' A' ' 39' ' ' VAL . 26.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.21 111.108 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.797 0.332 . . . . 71.11 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.94 147.71 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 72.55 111.107 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.88 143.85 46.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 73.01 110.926 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -114.15 -170.24 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 74.15 110.832 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 151.71 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 73.45 110.872 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -75.83 -71.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 64.4 110.873 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -156.97 174.79 14.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 62.43 110.85 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -64.21 132.02 49.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 63.23 110.832 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.38 -33.32 2.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.77 . . . . 74.31 112.439 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.757 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -111.8 171.59 7.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 75.25 110.945 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -79.26 -11.06 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 64.51 110.852 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.757 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.53 113.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 60.33 111.091 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -79.2 -22.33 45.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.891 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -58.39 -25.45 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 72.21 110.854 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.554 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.3 pt20 -75.71 -6.29 49.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 74.25 110.901 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -51.68 -25.02 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.905 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.7 24.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 72.15 110.932 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.59 -20.64 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.15 111.149 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.61 -30.07 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.83 17.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 74.42 110.904 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -94.19 -24.88 17.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 63.53 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -77.39 -26.25 51.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 63.22 110.895 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -101.53 36.52 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.22 110.871 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -79.09 -25.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.148 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.34 149.69 16.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.746 . . . . 55.44 112.446 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.2 p -109.38 163.96 12.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 74.33 110.849 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -116.54 173.93 6.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 71.4 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -79.11 -55.86 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 70.14 110.92 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.01 124.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 74.14 112.521 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.43 37.49 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 60.13 111.12 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 pt -55.77 -30.29 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 70.22 111.089 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.8 mt -71.88 -28.36 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 63.13 111.129 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.66 123.68 7.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 71.55 112.503 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -51.74 60.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 72.45 110.893 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -137.87 154.92 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.851 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 38' ' ' GLY . 32.0 t -107.24 144.63 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 72.35 111.129 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.07 -31.83 59.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.709 . . . . 53.22 112.453 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.574 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -70.58 -26.12 74.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 70.14 112.443 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.4 t -89.59 -25.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 72.44 111.078 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.179 179.908 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.843 0.354 . . . . 63.42 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.7 179.02 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 74.22 111.086 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.66 114.92 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 64.44 110.914 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -70.52 -178.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.945 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -55.31 108.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.871 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -109.28 29.55 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 54.12 110.842 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -128.87 166.68 18.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.41 110.914 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -54.42 168.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 35.55 110.877 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.61 -90.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 72.43 112.506 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.79 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -143.24 171.6 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 74.12 110.937 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.22 -11.08 59.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 63.5 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.79 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.47 113.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 61.11 111.111 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -75.95 -21.72 56.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.816 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -58.35 -25.43 61.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 73.55 110.917 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.557 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.2 pt20 -75.75 -6.2 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.932 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -51.74 -24.96 6.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 55.31 110.909 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.75 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.924 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.54 -20.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.35 111.137 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.63 -30.03 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 64.05 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.39 -29.88 17.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.22 110.89 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.44 -25.08 17.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 75.24 111.114 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -77.57 -26.34 50.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.1 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.18 36.44 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 61.14 110.867 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.2 m -79.19 -25.72 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 74.25 111.158 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.47 157.07 22.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.754 . . . . 70.35 112.473 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -114.85 142.03 47.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 51.22 110.827 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -86.03 155.7 20.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 75.13 110.904 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -82.33 -48.66 10.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 75.55 110.913 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.26 -79.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 71.23 112.442 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.74 44.96 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 73.33 111.05 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.8 pt -76.43 -27.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 65.22 111.133 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.85 -26.89 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 72.21 111.152 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.67 119.7 6.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 31.21 112.462 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.57 -51.05 71.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 71.55 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.8 mmt -136.82 161.51 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 51.34 110.833 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.669 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.0 t -114.32 142.47 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 72.02 111.093 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.5 -19.62 54.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 30.15 112.482 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.669 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -67.55 -23.44 73.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 61.15 112.506 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 m -112.72 -27.36 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 74.24 111.146 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 36' ' ' VAL . 11.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 74.33 111.129 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.836 0.351 . . . . 62.12 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.41 150.04 43.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 65.1 111.086 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -73.54 127.43 32.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.923 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -90.84 -32.15 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 65.11 110.864 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -52.15 123.6 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 51.21 110.874 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -117.54 178.49 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.887 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -73.79 -64.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -150.01 156.25 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.856 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.56 -98.42 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 64.2 112.479 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.767 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -165.86 171.56 12.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 72.42 110.877 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -79.21 -10.58 59.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 72.25 110.871 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.54 113.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 74.05 111.128 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -67.01 -22.46 65.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.922 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -58.38 -24.45 59.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.54 110.83 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.551 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.8 pt20 -75.6 -6.34 49.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.936 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -24.98 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 53.12 110.902 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -20.73 25.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.45 110.862 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.61 -20.62 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.158 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.62 -30.0 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.909 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.45 -29.79 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.887 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -92.98 -25.52 17.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 42.14 111.086 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -77.37 -26.33 51.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 72.31 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.46 31.76 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.856 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 21' ' ' ALA . 15.4 m -67.35 -30.68 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 75.44 111.162 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.28 101.28 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 63.2 112.494 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 t -169.7 165.4 10.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.389 . . . . 70.14 110.822 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m120 60.1 48.49 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 75.22 110.923 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.12 -25.59 67.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.911 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.19 -43.9 0.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 70.13 112.488 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.65 40.9 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 74.52 111.106 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.6 pt -69.27 -27.36 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.25 111.168 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.23 -29.75 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.11 111.164 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.11 115.1 1.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 64.12 112.484 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.9 -27.44 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.79 0.329 . . . . 72.35 110.907 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.9 mtp -137.11 164.34 28.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 70.11 110.847 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.745 HG12 ' H ' ' A' ' 38' ' ' GLY . 21.8 t -135.6 138.87 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 74.4 111.151 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.52 -21.06 79.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 74.53 112.502 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.745 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -52.77 -27.71 28.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 71.33 112.465 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 36' ' ' VAL . 34.3 m -67.39 -32.54 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 74.24 111.159 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 72.23 111.137 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.804 0.335 . . . . 70.1 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.81 179.71 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 63.23 111.078 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -120.91 169.68 10.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 72.15 110.884 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -124.07 163.81 20.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.902 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 146.29 33.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.89 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -128.12 105.43 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 70.15 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -166.35 164.42 17.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 72.4 110.89 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t -96.48 105.12 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 70.32 110.867 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.73 -66.72 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 62.13 112.497 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.785 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -123.83 171.62 9.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.35 . . . . 71.51 110.924 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -11.18 59.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 61.41 110.879 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.785 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.47 113.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.4 111.093 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -73.28 -22.5 60.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.871 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -58.22 -22.84 53.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.827 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.545 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.57 -6.37 49.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 64.24 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -24.98 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 73.53 110.95 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -20.59 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.967 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.64 -20.64 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 61.41 111.158 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.62 -30.02 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.88 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.84 17.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 72.35 110.868 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -83.16 -33.34 26.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 54.12 111.143 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -74.58 -26.32 59.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 61.52 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.49 41.46 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.917 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -78.77 -26.84 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.161 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.3 147.8 19.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 70.04 112.496 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -111.73 149.03 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 73.21 110.868 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -112.33 139.54 47.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 60.41 110.915 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -69.82 -32.56 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.02 110.934 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.66 116.48 0.77 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 70.52 112.485 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.45 32.39 6.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 53.53 111.049 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.0 pt -66.5 -27.06 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 63.03 111.119 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.5 mt -54.31 -28.61 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 71.03 111.1 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.8 123.44 6.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 32.13 112.493 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.5 tp -55.28 -35.77 65.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 74.31 110.913 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -143.35 157.3 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 64.03 110.938 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.709 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.9 t -105.63 132.08 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 75.33 111.119 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.53 -22.18 74.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 42.52 112.517 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.709 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -52.6 -39.91 54.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 52.12 112.497 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.9 m -88.59 -27.84 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 71.35 111.156 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 74.21 111.136 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.815 0.341 . . . . 72.1 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.14 176.01 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.101 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -114.41 121.59 44.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.837 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -103.99 -30.61 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.878 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -52.08 124.23 12.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 63.44 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -154.44 173.36 16.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.884 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -56.14 155.26 6.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 72.1 110.823 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.4 p -55.16 107.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 70.45 110.84 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.21 -63.28 5.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 32.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.752 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -162.04 171.59 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 74.44 110.916 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.17 -11.02 59.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 74.45 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.752 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.42 113.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 73.24 111.103 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -65.93 -23.29 66.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 61.4 110.866 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -59.87 -20.64 58.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 75.21 110.836 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.555 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.46 -6.38 49.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 70.31 110.89 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -24.97 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 64.51 110.884 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -20.67 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.01 110.876 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.63 -20.64 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 53.23 111.134 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.69 -29.93 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.45 110.843 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.5 -29.83 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 62.32 110.911 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -91.52 -26.39 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 71.32 111.089 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -77.26 -25.94 52.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.12 110.918 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -101.89 34.32 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 71.14 110.887 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 21' ' ' ALA . 25.3 m -79.12 -28.4 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 44.23 111.177 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.99 130.0 10.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 61.02 112.514 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.7 m -113.47 109.51 18.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 63.52 110.85 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -54.18 124.47 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 72.54 110.834 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -58.27 -49.02 78.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 62.22 110.863 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.73 93.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 64.02 112.497 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.2 40.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 72.41 111.119 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 pt -55.78 -25.96 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 52.15 111.136 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -78.42 -37.37 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 70.12 111.13 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.25 124.18 7.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 73.33 112.476 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.96 -45.47 20.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.768 0.318 . . . . 73.33 110.91 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -150.28 160.8 43.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.882 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -126.95 165.68 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 71.23 111.138 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.93 -21.91 68.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 61.24 112.49 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.28 -39.17 96.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 53.52 112.485 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.7 t -75.45 -44.59 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 62.43 111.164 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 64.22 111.109 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.809 0.338 . . . . 72.55 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.64 164.81 5.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 64.11 111.073 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -75.45 137.6 41.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 62.21 110.862 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -52.36 -30.81 30.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.845 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.61 109.34 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 62.42 110.896 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -107.23 26.97 9.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.835 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.91 -33.84 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 70.01 110.865 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.41 160.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 72.45 110.813 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.94 40.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 51.04 112.459 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.778 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -137.98 171.63 14.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.871 0.367 . . . . 75.21 110.918 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -79.22 -11.87 59.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 73.43 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.778 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.8 p -51.29 114.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 50.22 111.152 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -79.38 -22.33 44.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 65.52 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -58.38 -25.46 62.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.863 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.546 ' O ' HG12 ' A' ' 18' ' ' VAL . 7.4 pt20 -75.82 -6.25 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 74.22 110.88 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -51.65 -25.08 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.897 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -20.67 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.908 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.4 p -55.63 -20.64 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 54.02 111.127 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.63 -30.04 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 52.45 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.41 -29.82 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 61.45 110.889 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.625 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -96.43 -23.09 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 50.33 111.099 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -78.36 -22.6 47.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 73.23 110.918 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.05 51.94 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 52.2 110.871 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.2 m -79.28 -28.04 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.145 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.7 161.75 13.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 65.11 112.488 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 p -103.73 140.38 37.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.928 0.394 . . . . 75.34 110.857 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -63.27 123.81 19.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.94 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -76.52 -46.16 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.14 110.908 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.14 119.57 0.89 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 53.22 112.52 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.49 48.93 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 43.05 111.119 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.9 pt -56.24 -25.77 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 71.41 111.126 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.2 -30.33 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 62.52 111.127 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.61 99.08 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 71.14 112.467 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mp -55.54 -52.37 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.351 . . . . 70.33 110.902 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -134.18 150.08 51.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.901 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.38 161.59 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 71.45 111.123 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.98 -23.18 62.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 74.24 112.512 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.18 -22.21 55.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 41.4 112.451 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.626 HG23 HG23 ' A' ' 40' ' ' VAL . 30.9 m -111.46 -29.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 62.33 111.14 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.626 HG23 HG23 ' A' ' 39' ' ' VAL . 59.2 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 75.15 111.151 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.8 0.334 . . . . 75.12 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.76 170.82 7.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 75.24 111.092 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -90.0 179.86 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 75.21 110.876 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.476 ' CB ' ' HB1' ' A' ' 21' ' ' ALA . 16.6 p90 -109.6 21.79 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 72.43 110.935 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -96.72 55.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 65.34 110.876 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -75.51 -36.61 60.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 61.15 110.818 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -103.72 143.79 32.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.35 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -63.53 170.3 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.872 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.75 97.59 2.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 65.55 112.537 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.79 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.9 t80 -96.97 171.07 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 70.22 110.894 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.36 -21.05 46.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 74.33 110.89 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.79 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.4 p -51.15 114.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 73.31 111.123 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -69.42 -22.44 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.88 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -58.3 -25.18 61.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 61.24 110.841 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.59 -6.37 50.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 61.3 110.913 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -51.73 -24.96 6.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.41 110.902 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -20.69 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 63.24 110.891 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.67 -20.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.14 111.095 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.64 -29.96 8.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.895 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.84 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 55.45 110.917 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.45 -25.06 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 61.41 111.154 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.79 -26.22 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 71.34 110.896 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -102.84 37.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.905 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.1 m -78.98 -28.32 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 74.3 111.165 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.83 152.87 21.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.72 . . . . 73.52 112.527 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 t -91.52 141.76 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 73.44 110.859 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -96.86 -177.96 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 74.1 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -108.46 -64.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.34 110.879 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.36 118.41 0.83 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.735 . . . . 71.31 112.491 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.41 31.12 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 53.24 111.116 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 pt -57.51 -26.12 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 72.14 111.14 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.7 mt -63.21 -35.38 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.4 111.135 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.83 153.19 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 61.44 112.5 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.62 -49.26 63.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 74.13 110.943 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.509 ' HB3' HG21 ' A' ' 40' ' ' VAL . 37.6 mtt -147.19 160.05 42.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.843 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.727 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.9 t -118.84 139.46 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 54.41 111.153 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.65 -19.63 58.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 33.22 112.489 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.727 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -68.88 -24.44 75.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 74.35 112.506 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -112.15 -36.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 62.44 111.09 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 36' ' ' VAL . 27.0 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 65.2 111.124 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.3 p30 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.78 0.324 . . . . 74.4 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.86 137.07 57.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.02 111.066 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -71.81 152.4 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.844 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -53.16 171.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 73.31 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.82 174.73 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 70.1 110.841 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -67.51 -72.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 63.41 110.868 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -123.43 -73.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 65.53 110.866 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.3 m 52.11 47.96 23.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 55.31 110.848 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 92.45 1.06 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 72.1 112.535 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.755 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -145.84 171.67 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 74.2 110.919 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -79.29 -11.14 59.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 70.4 110.863 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.755 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.7 p -51.38 113.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 60.21 111.129 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -72.92 -20.89 60.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.85 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -61.11 -18.9 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 62.11 110.812 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.4 pt20 -75.28 -6.41 49.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 75.24 110.871 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -24.97 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 65.02 110.854 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -20.58 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 55.31 110.881 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.76 -20.57 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 61.34 111.09 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.69 -29.84 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 60.23 110.893 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.69 -29.71 19.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 63.3 110.886 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 24' ' ' VAL . . . -92.4 -25.33 18.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 63.51 111.122 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -78.39 -25.19 46.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.883 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -96.74 26.29 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.54 110.873 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 21' ' ' ALA . 27.0 m -79.22 -26.5 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.05 111.096 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.29 115.77 4.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 44.32 112.483 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -93.57 117.73 30.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 73.53 110.885 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 18.9 p30 -73.48 168.35 19.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.893 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -93.96 -29.87 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.32 110.867 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.41 -45.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 73.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' ND2' ' A' ' 27' ' ' ASN . . . 60.04 27.32 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 75.4 111.088 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.1 pt -56.12 -25.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.42 111.118 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.1 -28.29 44.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 61.21 111.145 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.57 120.43 2.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 60.24 112.473 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 mt -52.11 -55.92 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.341 . . . . 74.13 110.894 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.2 153.75 51.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 52.35 110.899 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.655 HG12 ' H ' ' A' ' 38' ' ' GLY . 23.6 t -108.42 143.55 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 51.54 111.181 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.35 -25.97 63.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.812 -0.709 . . . . 32.55 112.479 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.655 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -66.1 -27.95 73.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 60.1 112.462 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.4 t -89.33 -39.31 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 73.33 111.1 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 73.21 111.123 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.803 0.335 . . . . 74.01 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.62 125.43 27.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 50.44 111.107 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -67.95 135.34 52.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.91 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -102.19 -31.79 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.912 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -52.39 111.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 71.32 110.859 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -137.71 163.57 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.884 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.61 175.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.873 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -59.36 109.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 64.31 110.844 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.48 -78.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 52.34 112.464 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.76 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -151.55 171.62 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 54.13 110.955 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.23 -10.88 59.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.864 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.76 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.49 113.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 51.01 111.09 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -69.17 -21.12 64.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 55.43 110.866 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -62.46 -17.29 59.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 54.44 110.802 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.558 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.8 pt20 -75.34 -6.41 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.24 110.887 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -51.72 -25.0 6.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.894 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -20.61 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 43.5 110.893 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.58 -20.65 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 71.03 111.126 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -49.63 -30.0 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.899 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.47 -29.8 17.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.901 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -92.7 -25.72 18.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 72.21 111.125 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.66 -26.27 54.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.83 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -103.35 36.47 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 65.12 110.833 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 21' ' ' ALA . 20.9 m -78.95 -31.98 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 65.34 111.119 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.73 145.64 17.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 74.12 112.502 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.0 m -103.91 139.25 39.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 50.24 110.871 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -78.08 144.56 36.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.14 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -52.55 -53.39 46.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 64.25 110.902 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.24 111.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 64.22 112.493 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.29 42.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 65.13 111.07 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.9 pt -74.81 -28.33 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 64.51 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mt -75.26 -31.39 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 71.22 111.127 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.99 113.34 4.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 72.4 112.513 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.69 -49.09 77.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.332 . . . . 73.41 110.914 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.9 ptp -164.77 141.75 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 71.41 110.885 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 m -119.76 152.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 73.34 111.134 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.18 -20.99 76.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 33.42 112.491 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.49 -22.78 66.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.8 -0.714 . . . . 74.31 112.479 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.25 -33.29 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 73.1 111.135 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 40.32 111.141 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.862 0.363 . . . . 70.04 110.833 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.43 168.85 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 44.44 111.123 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -109.39 143.92 38.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 73.41 110.896 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -130.07 -170.14 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.815 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 129.65 45.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 73.23 110.895 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.42 57.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.907 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -136.52 169.59 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.884 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.7 p -71.5 159.68 34.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 72.02 110.853 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.64 -53.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 40.23 112.448 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.777 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -156.18 171.59 19.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 74.34 110.946 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -79.2 -11.23 59.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.948 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.777 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.45 113.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 75.22 111.157 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -75.25 -19.86 59.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.84 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -62.37 -17.29 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 72.23 110.843 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 pt20 -75.34 -6.44 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.05 110.879 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -51.75 -24.96 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 75.13 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -20.61 24.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 64.34 110.925 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.66 -20.61 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.133 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -49.6 -30.04 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 63.52 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.41 -29.86 17.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 52.34 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.522 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.61 -25.21 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 72.51 111.134 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -76.61 -26.72 55.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.54 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.62 41.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 64.33 110.9 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 21' ' ' ALA . 20.7 m -79.03 -25.85 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.33 111.12 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.66 134.16 7.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 71.31 112.511 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.3 p -91.46 143.31 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 72.32 110.883 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -85.2 155.48 21.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.5 110.864 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -63.37 -45.59 90.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 53.44 110.91 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.93 -41.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 44.43 112.479 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.09 47.13 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.72 0.295 . . . . 64.12 111.124 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 pt -65.12 -25.34 37.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 51.31 111.143 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.491 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.4 mp -75.69 -37.93 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.118 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.99 119.43 5.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 62.33 112.512 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.89 -55.22 28.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 73.23 110.932 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.1 ptp -148.76 158.35 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.875 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -96.76 159.34 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 74.41 111.121 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.16 -19.97 47.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 53.42 112.495 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.97 -29.76 59.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 63.12 112.486 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -91.85 -29.83 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 73.41 111.13 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 70.51 111.132 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.82 0.343 . . . . 63.5 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.04 172.55 11.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.147 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -138.98 140.49 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 63.44 110.93 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -111.81 21.92 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 63.55 110.894 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.97 176.77 10.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.892 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -118.09 -44.19 2.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 73.05 110.815 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -145.87 122.18 10.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.52 110.838 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 t -155.89 157.45 36.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 54.21 110.851 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.13 75.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 63.25 112.483 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.768 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -144.73 171.02 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 62.52 110.98 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.37 -21.03 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 72.34 110.9 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.768 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.5 p -51.16 114.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 63.43 111.154 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.44 -22.3 41.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.835 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -58.36 -25.47 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 51.32 110.878 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.546 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.4 pt20 -75.75 -6.25 49.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -51.69 -25.06 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.909 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.69 24.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.909 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.62 -20.61 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.153 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.64 -30.02 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.46 -29.79 17.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.845 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.655 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.95 -25.11 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 61.1 111.136 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -79.25 -18.22 53.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 54.12 110.936 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.84 48.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 73.52 110.869 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 21' ' ' ALA . 17.4 m -79.24 -28.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.128 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.03 150.78 21.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 74.13 112.456 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -103.2 119.93 39.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 74.2 110.868 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -79.21 149.53 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 70.24 110.918 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -117.15 -74.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.49 112.75 3.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 53.12 112.466 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.1 42.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.306 . . . . 44.41 111.088 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.9 pt -72.19 -25.39 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 75.32 111.13 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.9 mm -74.23 -27.79 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 64.34 111.144 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.55 146.8 16.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 72.45 112.513 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.5 tp -77.4 -41.34 40.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 71.21 110.94 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.8 mtt -145.99 161.44 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.853 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.602 HG12 ' H ' ' A' ' 38' ' ' GLY . 24.4 t -95.06 139.84 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 64.22 111.112 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.33 -31.91 75.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 55.13 112.467 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.602 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -58.03 -34.3 72.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 52.44 112.511 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.5 t -86.16 -27.37 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 74.41 111.116 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.41 111.09 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.807 0.337 . . . . 63.31 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.67 167.92 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 62.03 111.112 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -110.96 142.57 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 63.42 110.867 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -112.54 18.13 18.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 75.41 110.865 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -86.92 85.97 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 71.54 110.86 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -124.78 153.55 42.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 71.31 110.824 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.19 109.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 54.33 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -164.95 137.39 4.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.852 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.66 83.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 53.34 112.466 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.771 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -136.08 171.6 14.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 62.03 110.944 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.23 -11.19 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 64.13 110.913 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.771 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.7 p -51.38 113.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 74.01 111.148 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -79.22 -22.27 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 64.03 110.889 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -58.34 -25.54 62.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.7 pt20 -75.69 -6.24 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.924 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -51.74 -24.98 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.87 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -20.69 24.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.931 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.57 -20.71 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 72.21 111.15 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.54 -30.08 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.902 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.84 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 63.03 110.834 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.54 -25.57 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 65.21 111.088 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -76.22 -26.71 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.03 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 39' ' ' VAL . 2.5 t70 -107.55 42.51 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 73.43 110.926 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 21' ' ' ALA . 21.4 m -78.13 -25.51 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 70.52 111.116 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.84 100.92 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.777 -0.725 . . . . 74.34 112.476 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.5 p -170.7 122.66 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 63.33 110.813 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -165.84 136.03 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 72.42 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -32.09 10.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 75.05 110.908 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.84 94.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 73.13 112.469 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.34 27.21 4.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.737 0.303 . . . . 53.13 111.097 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.1 pt -63.0 -25.35 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 70.22 111.15 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -119.59 -31.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 72.53 111.16 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.24 112.17 3.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.725 . . . . 61.13 112.511 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -74.14 -46.85 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 74.51 110.944 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 mmt -127.87 146.8 50.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.865 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 38' ' ' GLY . 21.9 t -98.31 139.25 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 73.1 111.119 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.89 -38.04 59.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 74.52 112.49 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.451 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -61.33 -21.17 59.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 34.34 112.532 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 23' ' ' ASP . 89.7 t -94.54 -39.41 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 65.41 111.101 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.52 111.11 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.811 0.338 . . . . 72.44 110.883 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.17 155.53 16.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 61.4 111.082 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -106.5 106.72 17.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -93.74 17.58 11.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 63.21 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.07 129.81 26.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 54.01 110.876 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -118.21 169.16 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.879 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.33 -28.59 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 64.45 110.878 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 p -57.49 135.58 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 64.11 110.842 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.48 99.6 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 74.23 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.788 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -104.5 171.64 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 72.31 110.91 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.21 -11.01 59.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 73.2 110.884 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.788 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.52 113.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 73.04 111.113 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -68.71 -22.42 64.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.15 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -58.37 -24.97 61.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 71.23 110.826 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.66 -6.28 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 45.12 110.865 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -25.01 6.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.874 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -20.71 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 54.32 110.947 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.58 -20.71 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 73.04 111.138 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.59 -30.04 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.81 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 62.11 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.42 -25.06 17.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 54.22 111.112 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -77.43 -26.3 51.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 64.21 110.89 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -101.58 36.41 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 74.53 110.902 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -78.9 -27.54 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 73.35 111.097 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.31 139.12 14.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 62.22 112.456 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -96.11 146.56 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 75.13 110.832 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -99.02 -178.8 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 70.44 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -105.85 -51.05 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.908 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.1 -56.27 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 61.53 112.481 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.45 36.86 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 60.35 111.076 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.7 pt -56.1 -26.87 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 65.42 111.079 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.05 -34.39 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.133 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.21 98.49 2.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 44.13 112.478 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -60.76 -45.12 95.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 52.42 110.898 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.33 151.77 51.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.882 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.634 HG23 HG22 ' A' ' 39' ' ' VAL . 35.1 m -140.87 150.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.2 111.129 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.81 -19.86 42.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 63.02 112.484 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.8 -21.16 43.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 34.33 112.5 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.634 HG22 HG23 ' A' ' 36' ' ' VAL . 32.3 m -101.62 -26.02 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 71.51 111.116 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.441 HG23 HG23 ' A' ' 39' ' ' VAL . 48.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.35 111.118 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.784 0.326 . . . . 74.24 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.36 165.45 35.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.097 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -90.57 142.11 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 71.4 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -103.94 17.96 23.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 55.15 110.845 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -80.03 114.52 19.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.866 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -121.81 -178.03 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 63.24 110.897 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -75.34 -67.1 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 63.51 110.861 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.8 t -161.18 141.42 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.88 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.38 -99.22 2.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 62.33 112.478 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.792 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -159.01 171.61 19.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.902 0.382 . . . . 74.31 110.906 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.19 -11.13 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 63.3 110.882 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.37 113.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 71.43 111.114 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -66.12 -23.14 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 63.12 110.871 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -58.36 -24.96 61.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 51.43 110.866 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.559 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.1 pt20 -75.68 -6.27 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.951 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -51.74 -24.98 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 72.43 110.897 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.71 24.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.875 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.67 -20.62 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 65.14 111.149 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.68 -30.03 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 71.55 110.815 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.83 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 54.31 110.845 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -89.69 -28.33 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 72.13 111.116 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -76.08 -26.34 56.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.866 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -105.0 38.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.896 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.4 m -78.06 -29.78 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.54 111.166 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.58 115.32 5.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 61.31 112.454 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 t -106.43 157.43 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 61.41 110.877 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -122.31 152.86 39.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 70.02 110.888 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -53.69 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.883 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.99 -25.68 4.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 64.33 112.502 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.8 44.72 13.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 74.52 111.084 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 pt -54.74 -27.7 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 73.01 111.114 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.1 mt -79.31 -41.36 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 75.31 111.101 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.28 98.81 1.06 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 75.31 112.492 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.48 -48.38 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 73.24 110.945 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mtp -111.56 132.93 54.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.852 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.749 HG12 ' H ' ' A' ' 38' ' ' GLY . 21.9 t -124.69 134.18 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 73.3 111.136 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.49 -20.13 63.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 72.52 112.448 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.749 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -64.69 -21.14 66.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 72.25 112.484 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 m -114.11 -38.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 72.23 111.101 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 36' ' ' VAL . 11.9 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 64.21 111.132 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 73.24 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.02 176.31 5.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.21 111.074 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -90.91 140.52 29.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -93.86 -22.65 18.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 54.41 110.883 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -70.13 84.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.864 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -115.05 -43.34 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.876 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -129.96 141.03 50.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.865 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.63 127.22 32.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.862 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.08 -75.61 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 53.54 112.443 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.748 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -166.39 171.64 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 74.23 110.928 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -10.75 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 64.31 110.879 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.748 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.5 113.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.11 111.109 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -63.48 -22.27 66.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 74.43 110.867 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.422 ' H ' HG22 ' A' ' 12' ' ' VAL . 8.9 t60 -61.46 -18.5 59.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 62.3 110.822 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.548 ' HB3' HG13 ' A' ' 12' ' ' VAL . 6.4 pt20 -75.34 -6.37 49.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 64.42 110.896 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -24.96 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 65.55 110.892 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -20.44 26.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 62.54 110.908 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.5 p -55.85 -20.55 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 71.12 111.166 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -49.78 -29.7 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 65.32 110.914 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.79 -29.71 20.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.898 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.49 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -88.16 -28.5 21.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.13 111.092 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -79.19 -20.63 47.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.9 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.28 32.37 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.25 110.86 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 21' ' ' ALA . 17.4 m -78.75 -25.7 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.03 111.154 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.29 123.32 7.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 71.43 112.448 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.8 m -96.5 153.72 17.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.894 0.378 . . . . 75.34 110.849 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -106.7 175.91 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 65.22 110.9 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -109.39 -27.93 9.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.11 110.879 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.85 -53.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 74.32 112.512 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.73 38.19 29.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 65.32 111.042 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.5 pt -61.05 -25.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 72.43 111.166 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.8 mt -76.38 -33.65 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 73.34 111.152 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.66 109.39 3.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 65.51 112.526 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.42 -40.74 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 60.23 110.919 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mmt -133.68 155.13 50.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.864 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.723 HG12 ' H ' ' A' ' 38' ' ' GLY . 24.6 t -133.05 141.12 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.11 111.133 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.84 -21.47 61.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 52.05 112.466 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.723 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -78.15 -28.48 56.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.727 -0.749 . . . . 75.45 112.471 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.1 t -91.69 -37.09 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 65.43 111.106 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 64.13 111.113 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.827 0.346 . . . . 73.53 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.35 174.08 11.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 51.34 111.106 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -123.76 149.25 45.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 72.53 110.898 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -111.69 -28.5 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 54.24 110.852 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.62 154.73 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.03 110.851 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -90.6 -55.99 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.24 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -157.64 151.14 23.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.51 110.871 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 p -171.22 146.56 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 72.0 110.883 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.11 46.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.707 -0.758 . . . . 73.25 112.462 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.777 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -107.8 171.04 7.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.84 0.352 . . . . 72.13 110.912 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -79.3 -21.15 46.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 73.25 110.883 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.777 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.4 p -51.11 114.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 74.21 111.1 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -80.36 -22.29 41.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 73.13 110.89 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -58.34 -25.42 61.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.914 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.557 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.3 pt20 -75.72 -6.35 50.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 53.12 110.929 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -51.63 -25.03 6.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.02 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.74 24.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 62.2 110.907 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.55 -20.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.089 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.58 -30.1 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.45 -29.75 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.916 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -94.31 -24.61 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 60.52 111.084 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -77.69 -26.09 49.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.85 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -101.24 36.33 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -79.03 -25.66 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.179 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.9 165.61 19.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 53.21 112.494 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -93.02 131.87 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 75.32 110.859 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -106.73 -68.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 65.53 110.883 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 62.24 17.77 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 71.1 110.903 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.12 37.15 2.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 55.23 112.443 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.96 29.49 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 73.53 111.091 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.3 pt -63.94 -26.89 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.41 111.143 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.0 mp -67.8 -28.2 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.171 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.55 119.52 6.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 52.34 112.456 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tp -52.71 -36.65 57.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 65.02 110.877 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.3 146.71 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.05 110.904 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 39' ' ' VAL . 20.8 m -100.61 164.17 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 74.55 111.132 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.99 -19.79 46.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 73.14 112.517 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.94 -41.48 82.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 62.31 112.483 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG23 HG22 ' A' ' 40' ' ' VAL . 19.8 m -81.18 -25.36 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.376 . . . . 72.21 111.157 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.441 HG22 HG23 ' A' ' 39' ' ' VAL . 11.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.32 111.156 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.835 0.35 . . . . 70.42 110.864 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.78 165.5 28.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.41 111.108 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -91.71 135.09 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 73.12 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -105.92 -32.35 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 65.32 110.876 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 mtm-85 -61.41 114.36 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 53.45 110.899 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -90.02 -46.74 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 65.45 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.3 -74.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 61.2 110.892 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t 51.67 51.87 15.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 70.21 110.877 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.34 37.98 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 72.02 112.484 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.772 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -125.98 170.95 11.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 65.32 110.91 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.33 -20.99 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.927 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.772 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.5 p -51.23 114.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 71.51 111.098 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -82.48 -20.75 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.54 110.853 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -60.4 -23.37 64.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.842 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.561 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.8 pt20 -75.46 -6.38 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.942 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -24.92 6.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 63.35 110.913 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -20.72 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.92 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.59 -20.67 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 72.45 111.176 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.61 -30.05 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.15 110.913 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.48 -29.77 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.849 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.73 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -94.3 -24.36 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 44.5 111.086 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -79.27 -11.22 59.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 72.21 110.826 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.83 29.08 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.864 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 21' ' ' ALA . 5.9 m -57.4 -28.68 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 63.43 111.132 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.93 156.45 22.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 70.13 112.495 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -105.08 147.62 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 72.11 110.861 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -89.82 100.85 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -83.57 -55.21 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.893 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.08 94.0 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 62.2 112.467 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.32 42.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.714 0.293 . . . . 51.23 111.071 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.4 pt -63.77 -26.34 40.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 64.54 111.146 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -78.53 -26.91 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.44 111.145 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.82 107.43 3.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 63.23 112.456 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 34' ' ' LEU . 4.8 tt -71.56 -38.53 70.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 71.54 110.956 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.7 ptp -138.75 152.69 48.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.874 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 40' ' ' VAL . 34.4 m -134.41 156.82 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.35 111.135 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.23 -19.8 58.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 71.01 112.497 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.49 -21.77 49.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 73.13 112.478 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.532 HG22 HG23 ' A' ' 36' ' ' VAL . 27.4 m -106.18 -27.48 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 64.24 111.123 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 36' ' ' VAL . 8.5 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 64.13 111.125 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.787 0.327 . . . . 73.53 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.87 151.94 22.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 73.11 111.104 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.71 127.24 33.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 61.2 110.873 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -80.54 -30.1 37.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 72.21 110.879 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -90.91 160.04 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 73.35 110.878 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -85.27 143.25 28.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 62.13 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -55.96 -26.4 47.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 73.13 110.928 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -56.53 152.99 10.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.855 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.87 81.09 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 54.33 112.489 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.789 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -100.55 171.62 7.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 73.32 110.924 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.27 -11.05 59.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.866 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.789 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.42 113.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.01 111.127 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -74.08 -21.68 59.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.851 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -58.3 -25.46 61.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 73.1 110.877 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.555 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.8 pt20 -75.74 -6.28 49.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 62.54 110.855 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -51.65 -25.05 6.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 65.1 110.903 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.68 24.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 44.1 110.928 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.2 p -55.6 -20.68 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 54.1 111.101 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.66 -29.99 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.875 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.81 17.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.87 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -95.46 -25.08 16.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 52.22 111.127 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -76.44 -26.27 55.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 74.04 110.914 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -103.55 36.44 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 62.53 110.937 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -77.68 -26.17 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 71.52 111.101 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.22 165.33 31.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 32.43 112.486 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -93.21 125.25 37.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 71.15 110.836 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -107.35 -73.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 71.52 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt 62.67 19.36 11.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 65.11 110.887 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.39 -111.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 74.21 112.491 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.06 37.0 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 44.44 111.1 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.4 pt -57.59 -27.25 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 64.44 111.166 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mm -77.9 -39.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 71.22 111.134 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.6 128.06 8.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 50.21 112.504 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 tt -63.56 -41.24 98.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 72.21 110.917 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ptp -147.35 151.35 36.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 64.35 110.881 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.443 HG23 HG23 ' A' ' 39' ' ' VAL . 31.3 m -123.97 142.4 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.11 111.095 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.85 -20.58 57.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 72.05 112.47 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.45 -20.94 53.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 62.32 112.466 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.443 HG23 HG23 ' A' ' 36' ' ' VAL . 48.2 t -91.63 -43.51 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.814 0.34 . . . . 54.22 111.098 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 71.41 111.14 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.949 0.404 . . . . 73.510000000000005 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -115.89 -33.93 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 71.340000000000003 110.877 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -130.0 130.15 44.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 72.439999999999998 110.849 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -117.52 45.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.329999999999998 110.848 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -173.07 150.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 71.510000000000005 110.85 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.4 m -64.3 172.7 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.896 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.76 -80.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 64.25 112.496 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.792 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -152.28 171.61 17.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 74.349999999999994 110.953 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -79.3 -11.07 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 71.540000000000006 110.865 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.42 113.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.099999999999994 111.177 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -74.26 -21.66 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 72.439999999999998 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -58.35 -25.41 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 110.841 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.545 ' O ' HG12 ' A' ' 18' ' ' VAL . 2.8 pt20 -75.72 -6.28 49.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 72.409999999999997 110.946 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -51.69 -24.99 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.019999999999996 110.921 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.66 24.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 75.239999999999995 110.92 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.75 -20.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 73.340000000000003 111.112 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.71 -29.86 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 64.450000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.65 -29.71 18.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 62.409999999999997 110.871 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.63 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.84 -24.29 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 75.010000000000005 111.09 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -79.15 -23.27 44.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 75.140000000000001 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -87.1 51.88 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 54.439999999999998 110.889 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.1 m -79.3 -29.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 64.409999999999997 111.154 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.75 162.24 25.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 74.510000000000005 112.506 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -125.85 124.99 42.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.372 . . . . 51.409999999999997 110.875 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -65.08 144.2 57.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 63.340000000000003 110.882 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -73.09 -52.49 14.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 110.889 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.76 112.77 0.6 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.76 . . . . 64.340000000000003 112.476 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.46 30.0 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 73.439999999999998 111.058 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.0 pt -55.29 -26.54 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 63.210000000000001 111.148 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.53 -31.01 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 72.340000000000003 111.107 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.34 111.68 3.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 64.109999999999999 112.538 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.0 -32.83 74.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 63.229999999999997 110.912 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.5 mmm -137.08 162.3 33.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 74.450000000000003 110.909 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.688 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.6 t -115.43 141.43 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 43.399999999999999 111.145 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.16 -20.61 54.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 75.25 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.688 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -54.16 -36.4 56.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 50.439999999999998 112.477 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.686 HG23 HG23 ' A' ' 40' ' ' VAL . 34.0 m -105.39 -25.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 72.439999999999998 111.113 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.686 HG23 HG23 ' A' ' 39' ' ' VAL . 57.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 71.420000000000002 111.163 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.833 0.349 . . . . 71.129999999999995 110.917 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -84.37 -171.14 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.519999999999996 110.881 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -52.81 107.89 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.230000000000004 110.838 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -72.28 -27.13 62.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.409999999999997 110.884 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -65.01 177.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 74.400000000000006 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -87.2 -52.78 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 65.420000000000002 110.904 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.51 -62.23 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 55.420000000000002 112.468 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.799 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -149.17 171.03 17.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 72.310000000000002 110.885 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -79.33 -21.03 46.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 73.510000000000005 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.799 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.3 p -51.2 114.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 65.200000000000003 111.1 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -67.43 -22.18 65.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.140000000000001 110.827 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -58.32 -22.39 52.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 71.329999999999998 110.83 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.558 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.5 pt20 -75.31 -6.4 49.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 71.099999999999994 110.933 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -25.02 6.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 72.439999999999998 110.898 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -20.62 25.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 71.510000000000005 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.63 -20.6 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 64.129999999999995 111.142 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.71 -30.0 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.349999999999994 110.864 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.48 -29.76 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 73.129999999999995 110.867 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -92.7 -25.73 18.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 54.200000000000003 111.091 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -77.41 -26.22 51.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 74.099999999999994 110.911 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -101.62 36.32 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.340000000000003 110.866 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.5 m -78.85 -27.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 54.450000000000003 111.142 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.78 107.22 0.69 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 42.310000000000002 112.446 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -90.58 160.05 16.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 55.509999999999998 110.86 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -75.87 -179.01 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 110.899 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.24 -30.7 13.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 110.888 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.35 -65.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 32.520000000000003 112.469 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.97 30.09 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.713 0.292 . . . . 75.230000000000004 111.102 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 pt -58.18 -26.6 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.8 mt -56.56 -31.36 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.540000000000006 111.127 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.5 139.79 15.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 75.430000000000007 112.484 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.44 -36.99 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 73.019999999999996 110.937 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.83 154.85 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 61.530000000000001 110.898 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.532 HG23 HG22 ' A' ' 39' ' ' VAL . 33.2 m -98.89 152.89 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 62.299999999999997 111.099 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.4 -20.07 49.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 42.32 112.492 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.02 -28.86 69.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 53.399999999999999 112.502 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.532 HG22 HG23 ' A' ' 36' ' ' VAL . 34.9 m -81.03 -31.86 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 71.120000000000005 111.12 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.423 HG22 HG23 ' A' ' 39' ' ' VAL . 26.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.209999999999994 111.108 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.851 0.357 . . . . 73.010000000000005 110.926 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -114.15 -170.24 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 74.150000000000006 110.832 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 151.71 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 73.450000000000003 110.872 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -75.83 -71.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 64.400000000000006 110.873 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -156.97 174.79 14.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 62.43 110.85 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -64.21 132.02 49.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 63.229999999999997 110.832 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.38 -33.32 2.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.77 . . . . 74.310000000000002 112.439 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.757 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -111.8 171.59 7.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 75.25 110.945 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -79.26 -11.06 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 64.510000000000005 110.852 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.757 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.53 113.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 60.329999999999998 111.091 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -79.2 -22.33 45.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 75.230000000000004 110.891 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -58.39 -25.45 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 72.209999999999994 110.854 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.554 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.3 pt20 -75.71 -6.29 49.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 74.25 110.901 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -51.68 -25.02 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.420000000000002 110.905 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.7 24.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 72.150000000000006 110.932 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.59 -20.64 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.150000000000006 111.149 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.61 -30.07 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.83 17.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 74.420000000000002 110.904 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -94.19 -24.88 17.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 63.530000000000001 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -77.39 -26.25 51.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 63.219999999999999 110.895 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -101.53 36.52 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.219999999999999 110.871 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -79.09 -25.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 111.148 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.34 149.69 16.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.746 . . . . 55.439999999999998 112.446 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.2 p -109.38 163.96 12.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 74.329999999999998 110.849 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -116.54 173.93 6.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 71.400000000000006 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -79.11 -55.86 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 70.140000000000001 110.92 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.01 124.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 74.140000000000001 112.521 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.43 37.49 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 60.130000000000003 111.12 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 pt -55.77 -30.29 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 70.219999999999999 111.089 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.8 mt -71.88 -28.36 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 63.130000000000003 111.129 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.66 123.68 7.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 71.549999999999997 112.503 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -51.74 60.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 72.450000000000003 110.893 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -137.87 154.92 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 71.109999999999999 110.851 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 38' ' ' GLY . 32.0 t -107.24 144.63 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 72.349999999999994 111.129 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.07 -31.83 59.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.709 . . . . 53.219999999999999 112.453 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.574 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -70.58 -26.12 74.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 70.140000000000001 112.443 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.4 t -89.59 -25.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 72.439999999999998 111.078 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 72.439999999999998 111.179 179.908 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.872 0.367 . . . . 64.439999999999998 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -70.52 -178.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 75.040000000000006 110.945 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -55.31 108.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 74.140000000000001 110.871 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -109.28 29.55 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 54.119999999999997 110.842 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -128.87 166.68 18.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.409999999999997 110.914 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -54.42 168.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 35.549999999999997 110.877 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.61 -90.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 72.430000000000007 112.506 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.79 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -143.24 171.6 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 74.120000000000005 110.937 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.22 -11.08 59.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 63.5 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.79 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.47 113.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 61.109999999999999 111.111 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -75.95 -21.72 56.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.430000000000007 110.816 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -58.35 -25.43 61.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 73.549999999999997 110.917 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.557 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 pt20 -75.75 -6.2 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.310000000000002 110.932 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -51.74 -24.96 6.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 55.310000000000002 110.909 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.75 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 110.924 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.54 -20.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.349999999999994 111.137 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.63 -30.03 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 64.049999999999997 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.39 -29.88 17.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.219999999999999 110.89 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.44 -25.08 17.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 75.239999999999995 111.114 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -77.57 -26.34 50.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.099999999999994 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.18 36.44 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 61.140000000000001 110.867 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.2 m -79.19 -25.72 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 74.25 111.158 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.47 157.07 22.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.754 . . . . 70.349999999999994 112.473 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -114.85 142.03 47.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 51.219999999999999 110.827 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -86.03 155.7 20.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 75.129999999999995 110.904 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -82.33 -48.66 10.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 75.549999999999997 110.913 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.26 -79.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 71.230000000000004 112.442 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.74 44.96 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 73.329999999999998 111.05 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.8 pt -76.43 -27.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 111.133 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.85 -26.89 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 72.209999999999994 111.152 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.67 119.7 6.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 31.210000000000001 112.462 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.57 -51.05 71.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 71.549999999999997 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.8 mmt -136.82 161.51 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 51.340000000000003 110.833 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.669 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.0 t -114.32 142.47 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 72.019999999999996 111.093 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.5 -19.62 54.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 30.149999999999999 112.482 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.669 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -67.55 -23.44 73.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 61.149999999999999 112.506 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 m -112.72 -27.36 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 74.239999999999995 111.146 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 36' ' ' VAL . 11.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 111.129 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.842 0.353 . . . . 73.25 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -90.84 -32.15 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 65.109999999999999 110.864 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -52.15 123.6 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 51.210000000000001 110.874 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -117.54 178.49 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.887 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -73.79 -64.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 72.519999999999996 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -150.01 156.25 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 74.340000000000003 110.856 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.56 -98.42 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 64.200000000000003 112.479 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.767 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -165.86 171.56 12.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 72.420000000000002 110.877 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -79.21 -10.58 59.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 72.25 110.871 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.54 113.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 74.049999999999997 111.128 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -67.01 -22.46 65.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.922 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -58.38 -24.45 59.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.539999999999999 110.83 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.551 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.8 pt20 -75.6 -6.34 49.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.209999999999994 110.936 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -24.98 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 53.119999999999997 110.902 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -20.73 25.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.450000000000003 110.862 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.61 -20.62 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.239999999999995 111.158 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.62 -30.0 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 110.909 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.45 -29.79 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.409999999999997 110.887 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -92.98 -25.52 17.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 42.140000000000001 111.086 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -77.37 -26.33 51.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 72.310000000000002 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.46 31.76 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.856 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 21' ' ' ALA . 15.4 m -67.35 -30.68 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 75.439999999999998 111.162 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.28 101.28 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 63.200000000000003 112.494 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 t -169.7 165.4 10.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.389 . . . . 70.140000000000001 110.822 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m120 60.1 48.49 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 75.219999999999999 110.923 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.12 -25.59 67.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 110.911 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.19 -43.9 0.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 70.129999999999995 112.488 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.65 40.9 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 74.519999999999996 111.106 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.6 pt -69.27 -27.36 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.25 111.168 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.23 -29.75 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.109999999999999 111.164 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.11 115.1 1.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 64.120000000000005 112.484 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.9 -27.44 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.79 0.329 . . . . 72.349999999999994 110.907 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.9 mtp -137.11 164.34 28.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 70.109999999999999 110.847 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.745 HG12 ' H ' ' A' ' 38' ' ' GLY . 21.8 t -135.6 138.87 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 74.400000000000006 111.151 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.52 -21.06 79.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 74.530000000000001 112.502 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.745 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -52.77 -27.71 28.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 71.329999999999998 112.465 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 36' ' ' VAL . 34.3 m -67.39 -32.54 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 74.239999999999995 111.159 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 111.137 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.863 0.363 . . . . 72.150000000000006 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -124.07 163.81 20.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 73.430000000000007 110.902 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 146.29 33.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 72.430000000000007 110.89 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -128.12 105.43 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 70.150000000000006 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -166.35 164.42 17.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 110.89 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t -96.48 105.12 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 70.319999999999993 110.867 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.73 -66.72 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 62.130000000000003 112.497 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.785 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -123.83 171.62 9.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.35 . . . . 71.510000000000005 110.924 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -11.18 59.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 61.409999999999997 110.879 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.785 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.47 113.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.400000000000006 111.093 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -73.28 -22.5 60.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.099999999999994 110.871 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -58.22 -22.84 53.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 71.109999999999999 110.827 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.545 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.57 -6.37 49.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 64.239999999999995 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -24.98 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 73.530000000000001 110.95 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -20.59 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 75.409999999999997 110.967 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.64 -20.64 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 61.409999999999997 111.158 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.62 -30.02 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.510000000000005 110.88 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.84 17.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 72.349999999999994 110.868 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -83.16 -33.34 26.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 54.119999999999997 111.143 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -74.58 -26.32 59.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 61.520000000000003 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.49 41.46 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 73.409999999999997 110.917 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -78.77 -26.84 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 74.340000000000003 111.161 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.3 147.8 19.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 70.040000000000006 112.496 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -111.73 149.03 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 73.209999999999994 110.868 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -112.33 139.54 47.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 60.409999999999997 110.915 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -69.82 -32.56 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.019999999999996 110.934 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.66 116.48 0.77 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 70.519999999999996 112.485 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.45 32.39 6.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 53.530000000000001 111.049 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.0 pt -66.5 -27.06 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 63.030000000000001 111.119 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.5 mt -54.31 -28.61 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 71.030000000000001 111.1 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.8 123.44 6.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 32.130000000000003 112.493 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.5 tp -55.28 -35.77 65.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 74.310000000000002 110.913 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -143.35 157.3 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 64.030000000000001 110.938 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.709 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.9 t -105.63 132.08 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 75.329999999999998 111.119 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.53 -22.18 74.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 42.520000000000003 112.517 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.709 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -52.6 -39.91 54.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 52.119999999999997 112.497 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.9 m -88.59 -27.84 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 71.349999999999994 111.156 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 74.209999999999994 111.136 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.913 0.387 . . . . 74.200000000000003 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -103.99 -30.61 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.129999999999995 110.878 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -52.08 124.23 12.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 63.439999999999998 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -154.44 173.36 16.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 110.884 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -56.14 155.26 6.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 72.099999999999994 110.823 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.4 p -55.16 107.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 70.450000000000003 110.84 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.21 -63.28 5.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 32.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.752 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -162.04 171.59 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 74.439999999999998 110.916 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.17 -11.02 59.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 74.450000000000003 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.752 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.42 113.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 73.239999999999995 111.103 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -65.93 -23.29 66.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 61.399999999999999 110.866 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -59.87 -20.64 58.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 75.209999999999994 110.836 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.555 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.46 -6.38 49.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 70.310000000000002 110.89 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -24.97 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 64.510000000000005 110.884 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -20.67 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.010000000000005 110.876 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.63 -20.64 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 53.229999999999997 111.134 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.69 -29.93 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.450000000000003 110.843 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.5 -29.83 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 62.32 110.911 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -91.52 -26.39 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 71.319999999999993 111.089 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -77.26 -25.94 52.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.120000000000005 110.918 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -101.89 34.32 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 71.140000000000001 110.887 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 21' ' ' ALA . 25.3 m -79.12 -28.4 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 44.229999999999997 111.177 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.99 130.0 10.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 61.020000000000003 112.514 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.7 m -113.47 109.51 18.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 63.520000000000003 110.85 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -54.18 124.47 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 72.540000000000006 110.834 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -58.27 -49.02 78.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 62.219999999999999 110.863 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.73 93.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 64.019999999999996 112.497 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.2 40.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 72.409999999999997 111.119 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 pt -55.78 -25.96 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 52.149999999999999 111.136 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -78.42 -37.37 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 70.120000000000005 111.13 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.25 124.18 7.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 73.329999999999998 112.476 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.96 -45.47 20.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.768 0.318 . . . . 73.329999999999998 110.91 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -150.28 160.8 43.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 110.882 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -126.95 165.68 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 71.230000000000004 111.138 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.93 -21.91 68.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 61.240000000000002 112.49 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.28 -39.17 96.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 53.520000000000003 112.485 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.7 t -75.45 -44.59 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 62.43 111.164 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 64.219999999999999 111.109 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.919 0.39 . . . . 62.210000000000001 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -52.36 -30.81 30.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 110.845 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.61 109.34 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 62.420000000000002 110.896 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -107.23 26.97 9.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 72.310000000000002 110.835 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.91 -33.84 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 70.010000000000005 110.865 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.41 160.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 72.450000000000003 110.813 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.94 40.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 51.039999999999999 112.459 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.778 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -137.98 171.63 14.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.871 0.367 . . . . 75.209999999999994 110.918 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -79.22 -11.87 59.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 73.430000000000007 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.778 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.8 p -51.29 114.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 50.219999999999999 111.152 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -79.38 -22.33 44.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 65.519999999999996 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -58.38 -25.46 62.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.863 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.546 ' O ' HG12 ' A' ' 18' ' ' VAL . 7.4 pt20 -75.82 -6.25 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 74.219999999999999 110.88 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -51.65 -25.08 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.897 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -20.67 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.120000000000005 110.908 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.4 p -55.63 -20.64 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 54.020000000000003 111.127 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.63 -30.04 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 52.450000000000003 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.41 -29.82 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 61.450000000000003 110.889 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.625 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -96.43 -23.09 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 50.329999999999998 111.099 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -78.36 -22.6 47.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 110.918 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.05 51.94 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 52.200000000000003 110.871 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.2 m -79.28 -28.04 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.519999999999996 111.145 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.7 161.75 13.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 65.109999999999999 112.488 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 p -103.73 140.38 37.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.928 0.394 . . . . 75.340000000000003 110.857 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -63.27 123.81 19.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 63.409999999999997 110.94 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -76.52 -46.16 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.140000000000001 110.908 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.14 119.57 0.89 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 53.219999999999999 112.52 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.49 48.93 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 43.049999999999997 111.119 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.9 pt -56.24 -25.77 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 71.409999999999997 111.126 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.2 -30.33 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 62.520000000000003 111.127 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.61 99.08 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 71.140000000000001 112.467 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mp -55.54 -52.37 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.351 . . . . 70.329999999999998 110.902 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -134.18 150.08 51.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 72.420000000000002 110.901 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.38 161.59 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 71.450000000000003 111.123 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.98 -23.18 62.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 74.239999999999995 112.512 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.18 -22.21 55.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 41.399999999999999 112.451 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.626 HG23 HG23 ' A' ' 40' ' ' VAL . 30.9 m -111.46 -29.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 62.329999999999998 111.14 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.626 HG23 HG23 ' A' ' 39' ' ' VAL . 59.2 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 75.150000000000006 111.151 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.882 0.373 . . . . 75.209999999999994 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.476 ' CB ' ' HB1' ' A' ' 21' ' ' ALA . 16.6 p90 -109.6 21.79 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 72.430000000000007 110.935 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -96.72 55.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 65.340000000000003 110.876 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -75.51 -36.61 60.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 61.149999999999999 110.818 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -103.72 143.79 32.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.349999999999994 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -63.53 170.3 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 73.430000000000007 110.872 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.75 97.59 2.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 65.549999999999997 112.537 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.79 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.9 t80 -96.97 171.07 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 70.219999999999999 110.894 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.36 -21.05 46.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 74.329999999999998 110.89 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.79 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.4 p -51.15 114.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 73.310000000000002 111.123 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -69.42 -22.44 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.239999999999995 110.88 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -58.3 -25.18 61.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 61.240000000000002 110.841 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.59 -6.37 50.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 61.299999999999997 110.913 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -51.73 -24.96 6.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.409999999999997 110.902 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -20.69 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 63.240000000000002 110.891 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.67 -20.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 111.095 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.64 -29.96 8.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.409999999999997 110.895 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.84 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 55.450000000000003 110.917 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.45 -25.06 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 61.409999999999997 111.154 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.79 -26.22 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 71.340000000000003 110.896 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -102.84 37.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.409999999999997 110.905 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.1 m -78.98 -28.32 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 74.299999999999997 111.165 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.83 152.87 21.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.72 . . . . 73.519999999999996 112.527 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 t -91.52 141.76 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 73.439999999999998 110.859 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -96.86 -177.96 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 74.099999999999994 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -108.46 -64.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.340000000000003 110.879 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.36 118.41 0.83 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.735 . . . . 71.310000000000002 112.491 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.41 31.12 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 53.240000000000002 111.116 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 pt -57.51 -26.12 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 72.140000000000001 111.14 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.7 mt -63.21 -35.38 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.400000000000006 111.135 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.83 153.19 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 61.439999999999998 112.5 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.62 -49.26 63.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 74.129999999999995 110.943 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.509 ' HB3' HG21 ' A' ' 40' ' ' VAL . 37.6 mtt -147.19 160.05 42.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 73.319999999999993 110.843 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.727 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.9 t -118.84 139.46 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 54.409999999999997 111.153 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.65 -19.63 58.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 33.219999999999999 112.489 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.727 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -68.88 -24.44 75.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 74.349999999999994 112.506 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -112.15 -36.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 62.439999999999998 111.09 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 36' ' ' VAL . 27.0 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 65.200000000000003 111.124 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.889 0.376 . . . . 75.310000000000002 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -53.16 171.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 73.310000000000002 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.82 174.73 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 70.099999999999994 110.841 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -67.51 -72.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 63.409999999999997 110.868 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -123.43 -73.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 65.530000000000001 110.866 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.3 m 52.11 47.96 23.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 55.310000000000002 110.848 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 92.45 1.06 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 72.099999999999994 112.535 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.755 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -145.84 171.67 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 74.200000000000003 110.919 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -79.29 -11.14 59.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 70.400000000000006 110.863 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.755 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.7 p -51.38 113.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 60.210000000000001 111.129 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -72.92 -20.89 60.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.85 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -61.11 -18.9 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 62.109999999999999 110.812 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 18' ' ' VAL . 8.9 pt20 -75.28 -6.41 49.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 75.239999999999995 110.871 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -24.97 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 65.019999999999996 110.854 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -20.58 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 55.310000000000002 110.881 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.76 -20.57 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 61.340000000000003 111.09 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.69 -29.84 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 60.229999999999997 110.893 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.69 -29.71 19.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 63.299999999999997 110.886 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 24' ' ' VAL . . . -92.4 -25.33 18.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 63.509999999999998 111.122 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -78.39 -25.19 46.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 71.310000000000002 110.883 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -96.74 26.29 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.540000000000006 110.873 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 21' ' ' ALA . 27.0 m -79.22 -26.5 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.049999999999997 111.096 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.29 115.77 4.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 44.32 112.483 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -93.57 117.73 30.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 73.530000000000001 110.885 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 18.9 p30 -73.48 168.35 19.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 73.409999999999997 110.893 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -93.96 -29.87 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.319999999999993 110.867 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.41 -45.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 73.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' ND2' ' A' ' 27' ' ' ASN . . . 60.04 27.32 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 75.400000000000006 111.088 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.1 pt -56.12 -25.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 111.118 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.1 -28.29 44.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 61.210000000000001 111.145 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.57 120.43 2.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 60.240000000000002 112.473 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 mt -52.11 -55.92 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.341 . . . . 74.129999999999995 110.894 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.2 153.75 51.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 52.350000000000001 110.899 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.655 HG12 ' H ' ' A' ' 38' ' ' GLY . 23.6 t -108.42 143.55 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 51.539999999999999 111.181 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.35 -25.97 63.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.812 -0.709 . . . . 32.549999999999997 112.479 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.655 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -66.1 -27.95 73.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 60.100000000000001 112.462 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.4 t -89.33 -39.31 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 73.329999999999998 111.1 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 73.209999999999994 111.123 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.882 0.373 . . . . 71.329999999999998 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -102.19 -31.79 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 110.912 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -52.39 111.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 71.319999999999993 110.859 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -137.71 163.57 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 74.200000000000003 110.884 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.61 175.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 72.219999999999999 110.873 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -59.36 109.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 64.310000000000002 110.844 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.48 -78.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 52.340000000000003 112.464 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.76 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -151.55 171.62 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 54.130000000000003 110.955 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.23 -10.88 59.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 74.239999999999995 110.864 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.76 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.49 113.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 51.009999999999998 111.09 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -69.17 -21.12 64.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 55.43 110.866 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -62.46 -17.29 59.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 54.439999999999998 110.802 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.558 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.8 pt20 -75.34 -6.41 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.239999999999995 110.887 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -51.72 -25.0 6.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 75.310000000000002 110.894 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -20.61 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 43.5 110.893 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.58 -20.65 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 71.030000000000001 111.126 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -49.63 -30.0 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 110.899 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.47 -29.8 17.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.901 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -92.7 -25.72 18.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 72.209999999999994 111.125 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.66 -26.27 54.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 71.439999999999998 110.83 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -103.35 36.47 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 65.120000000000005 110.833 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 21' ' ' ALA . 20.9 m -78.95 -31.98 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 65.340000000000003 111.119 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.73 145.64 17.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 74.120000000000005 112.502 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.0 m -103.91 139.25 39.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 50.240000000000002 110.871 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -78.08 144.56 36.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.140000000000001 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -52.55 -53.39 46.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 64.25 110.902 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.24 111.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 64.219999999999999 112.493 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.29 42.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 65.129999999999995 111.07 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.9 pt -74.81 -28.33 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 64.510000000000005 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mt -75.26 -31.39 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 71.219999999999999 111.127 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.99 113.34 4.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 72.400000000000006 112.513 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.69 -49.09 77.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.332 . . . . 73.409999999999997 110.914 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.9 ptp -164.77 141.75 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 71.409999999999997 110.885 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 m -119.76 152.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 73.340000000000003 111.134 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.18 -20.99 76.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 33.420000000000002 112.491 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.49 -22.78 66.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.8 -0.714 . . . . 74.310000000000002 112.479 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.25 -33.29 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 73.099999999999994 111.135 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 40.32 111.141 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.896 0.379 . . . . 73.409999999999997 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -130.07 -170.14 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 71.450000000000003 110.815 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 129.65 45.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 73.230000000000004 110.895 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -120.42 57.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.010000000000005 110.907 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -136.52 169.59 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 75.439999999999998 110.884 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.7 p -71.5 159.68 34.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 72.019999999999996 110.853 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.64 -53.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 40.229999999999997 112.448 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.777 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -156.18 171.59 19.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 74.340000000000003 110.946 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -79.2 -11.23 59.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.430000000000007 110.948 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.777 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.45 113.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 75.219999999999999 111.157 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -75.25 -19.86 59.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 74.310000000000002 110.84 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -62.37 -17.29 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 72.230000000000004 110.843 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 pt20 -75.34 -6.44 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.049999999999997 110.879 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -51.75 -24.96 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 75.129999999999995 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -20.61 24.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 64.340000000000003 110.925 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.66 -20.61 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.133 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -49.6 -30.04 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 63.520000000000003 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.41 -29.86 17.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 52.340000000000003 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.522 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.61 -25.21 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 72.510000000000005 111.134 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -76.61 -26.72 55.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.540000000000006 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.62 41.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 64.329999999999998 110.9 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 21' ' ' ALA . 20.7 m -79.03 -25.85 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.329999999999998 111.12 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.66 134.16 7.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 71.310000000000002 112.511 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.3 p -91.46 143.31 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 72.319999999999993 110.883 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -85.2 155.48 21.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.5 110.864 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -63.37 -45.59 90.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 53.439999999999998 110.91 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.93 -41.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 44.43 112.479 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.09 47.13 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.72 0.295 . . . . 64.120000000000005 111.124 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 pt -65.12 -25.34 37.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 51.310000000000002 111.143 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.491 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.4 mp -75.69 -37.93 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 73.140000000000001 111.118 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.99 119.43 5.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 62.329999999999998 112.512 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.89 -55.22 28.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 73.230000000000004 110.932 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.1 ptp -148.76 158.35 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.875 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -96.76 159.34 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 74.409999999999997 111.121 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.16 -19.97 47.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 53.420000000000002 112.495 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.97 -29.76 59.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 63.119999999999997 112.486 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -91.85 -29.83 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 73.409999999999997 111.13 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 70.510000000000005 111.132 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.794 0.33 . . . . 63.439999999999998 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -111.81 21.92 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 63.549999999999997 110.894 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.97 176.77 10.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.439999999999998 110.892 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -118.09 -44.19 2.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 73.049999999999997 110.815 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -145.87 122.18 10.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.519999999999996 110.838 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 t -155.89 157.45 36.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 54.210000000000001 110.851 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.13 75.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 63.25 112.483 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.768 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -144.73 171.02 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 62.520000000000003 110.98 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.37 -21.03 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 72.340000000000003 110.9 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.768 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.5 p -51.16 114.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 63.43 111.154 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.44 -22.3 41.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.329999999999998 110.835 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -58.36 -25.47 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 51.32 110.878 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.546 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.4 pt20 -75.75 -6.25 49.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.329999999999998 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -51.69 -25.06 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.230000000000004 110.909 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.69 24.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 71.109999999999999 110.909 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.62 -20.61 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.439999999999998 111.153 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.64 -30.02 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.46 -29.79 17.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 71.409999999999997 110.845 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.655 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.95 -25.11 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 61.100000000000001 111.136 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -79.25 -18.22 53.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 54.119999999999997 110.936 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.84 48.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 73.519999999999996 110.869 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 21' ' ' ALA . 17.4 m -79.24 -28.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 111.128 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.03 150.78 21.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 74.129999999999995 112.456 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -103.2 119.93 39.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 74.200000000000003 110.868 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -79.21 149.53 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 70.239999999999995 110.918 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -117.15 -74.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.49 112.75 3.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 53.119999999999997 112.466 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.1 42.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.306 . . . . 44.409999999999997 111.088 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.9 pt -72.19 -25.39 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 75.319999999999993 111.13 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.9 mm -74.23 -27.79 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 64.340000000000003 111.144 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.55 146.8 16.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 72.450000000000003 112.513 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.5 tp -77.4 -41.34 40.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 71.209999999999994 110.94 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.8 mtt -145.99 161.44 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 73.140000000000001 110.853 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.602 HG12 ' H ' ' A' ' 38' ' ' GLY . 24.4 t -95.06 139.84 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 64.219999999999999 111.112 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.33 -31.91 75.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 55.130000000000003 112.467 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.602 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -58.03 -34.3 72.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 52.439999999999998 112.511 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.5 t -86.16 -27.37 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 74.409999999999997 111.116 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 111.09 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.861 0.362 . . . . 63.420000000000002 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -112.54 18.13 18.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 75.409999999999997 110.865 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -86.92 85.97 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 71.540000000000006 110.86 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -124.78 153.55 42.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 71.310000000000002 110.824 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.19 109.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 54.329999999999998 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -164.95 137.39 4.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 73.230000000000004 110.852 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.66 83.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 53.340000000000003 112.466 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.771 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -136.08 171.6 14.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 62.030000000000001 110.944 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.23 -11.19 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 64.129999999999995 110.913 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.771 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.7 p -51.38 113.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 74.010000000000005 111.148 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -79.22 -22.27 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 64.030000000000001 110.889 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -58.34 -25.54 62.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 73.430000000000007 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.7 pt20 -75.69 -6.24 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 110.924 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -51.74 -24.98 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.310000000000002 110.87 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -20.69 24.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 75.329999999999998 110.931 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.57 -20.71 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 72.209999999999994 111.15 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.54 -30.08 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.319999999999993 110.902 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.84 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 63.030000000000001 110.834 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.54 -25.57 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 65.209999999999994 111.088 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -76.22 -26.71 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.030000000000001 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 39' ' ' VAL . 2.5 t70 -107.55 42.51 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 73.430000000000007 110.926 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 21' ' ' ALA . 21.4 m -78.13 -25.51 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 70.519999999999996 111.116 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.84 100.92 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.777 -0.725 . . . . 74.340000000000003 112.476 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.5 p -170.7 122.66 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 63.329999999999998 110.813 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -165.84 136.03 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 72.420000000000002 110.904 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -32.09 10.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 75.049999999999997 110.908 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.84 94.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 73.129999999999995 112.469 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.34 27.21 4.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.737 0.303 . . . . 53.130000000000003 111.097 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.1 pt -63.0 -25.35 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 70.219999999999999 111.15 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -119.59 -31.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 72.530000000000001 111.16 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.24 112.17 3.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.725 . . . . 61.130000000000003 112.511 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -74.14 -46.85 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 74.510000000000005 110.944 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 mmt -127.87 146.8 50.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 110.865 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 38' ' ' GLY . 21.9 t -98.31 139.25 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 73.099999999999994 111.119 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.89 -38.04 59.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 74.519999999999996 112.49 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.451 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -61.33 -21.17 59.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 34.340000000000003 112.532 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 23' ' ' ASP . 89.7 t -94.54 -39.41 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 65.409999999999997 111.101 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.519999999999996 111.11 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.925 0.393 . . . . 73.140000000000001 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -93.74 17.58 11.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 63.210000000000001 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.07 129.81 26.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 54.009999999999998 110.876 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -118.21 169.16 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.430000000000007 110.879 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.33 -28.59 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 64.450000000000003 110.878 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 p -57.49 135.58 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 64.109999999999999 110.842 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.48 99.6 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 74.230000000000004 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.788 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -104.5 171.64 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 72.310000000000002 110.91 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.21 -11.01 59.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 73.200000000000003 110.884 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.788 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.52 113.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 73.040000000000006 111.113 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -68.71 -22.42 64.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.150000000000006 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -58.37 -24.97 61.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 71.230000000000004 110.826 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.66 -6.28 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 45.119999999999997 110.865 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -25.01 6.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 73.430000000000007 110.874 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -20.71 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 54.32 110.947 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.58 -20.71 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 73.040000000000006 111.138 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.59 -30.04 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.81 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 62.109999999999999 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.42 -25.06 17.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 54.219999999999999 111.112 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -77.43 -26.3 51.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 64.209999999999994 110.89 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -101.58 36.41 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 74.530000000000001 110.902 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -78.9 -27.54 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 73.349999999999994 111.097 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.31 139.12 14.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 62.219999999999999 112.456 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -96.11 146.56 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 75.129999999999995 110.832 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -99.02 -178.8 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 70.439999999999998 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -105.85 -51.05 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.209999999999994 110.908 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.1 -56.27 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 61.530000000000001 112.481 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.45 36.86 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 60.350000000000001 111.076 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.7 pt -56.1 -26.87 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 65.420000000000002 111.079 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.05 -34.39 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 73.319999999999993 111.133 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.21 98.49 2.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 44.130000000000003 112.478 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -60.76 -45.12 95.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 52.420000000000002 110.898 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.33 151.77 51.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 110.882 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.634 HG23 HG22 ' A' ' 39' ' ' VAL . 35.1 m -140.87 150.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.200000000000003 111.129 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.81 -19.86 42.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 63.020000000000003 112.484 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.8 -21.16 43.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 34.329999999999998 112.5 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.634 HG22 HG23 ' A' ' 36' ' ' VAL . 32.3 m -101.62 -26.02 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 71.510000000000005 111.116 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.441 HG23 HG23 ' A' ' 39' ' ' VAL . 48.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.349999999999994 111.118 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.886 0.374 . . . . 71.400000000000006 110.928 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -103.94 17.96 23.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 55.149999999999999 110.845 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -80.03 114.52 19.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.310000000000002 110.866 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -121.81 -178.03 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 63.240000000000002 110.897 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -75.34 -67.1 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 63.509999999999998 110.861 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.8 t -161.18 141.42 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.88 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.38 -99.22 2.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 62.329999999999998 112.478 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.792 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -159.01 171.61 19.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.902 0.382 . . . . 74.310000000000002 110.906 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.19 -11.13 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 63.299999999999997 110.882 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.37 113.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 71.430000000000007 111.114 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -66.12 -23.14 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 63.119999999999997 110.871 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -58.36 -24.96 61.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 51.43 110.866 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.559 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.1 pt20 -75.68 -6.27 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.319999999999993 110.951 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -51.74 -24.98 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 72.430000000000007 110.897 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.71 24.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 74.450000000000003 110.875 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.67 -20.62 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 65.140000000000001 111.149 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.68 -30.03 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 71.549999999999997 110.815 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.83 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 54.310000000000002 110.845 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -89.69 -28.33 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 72.129999999999995 111.116 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -76.08 -26.34 56.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.430000000000007 110.866 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -105.0 38.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 75.140000000000001 110.896 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.4 m -78.06 -29.78 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.540000000000006 111.166 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.58 115.32 5.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 61.310000000000002 112.454 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 t -106.43 157.43 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 61.409999999999997 110.877 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -122.31 152.86 39.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 70.019999999999996 110.888 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -53.69 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 72.439999999999998 110.883 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.99 -25.68 4.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 64.329999999999998 112.502 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.8 44.72 13.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 74.519999999999996 111.084 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 pt -54.74 -27.7 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 73.010000000000005 111.114 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.1 mt -79.31 -41.36 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 75.310000000000002 111.101 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.28 98.81 1.06 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 75.310000000000002 112.492 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.48 -48.38 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 73.239999999999995 110.945 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mtp -111.56 132.93 54.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.329999999999998 110.852 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.749 HG12 ' H ' ' A' ' 38' ' ' GLY . 21.9 t -124.69 134.18 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 73.299999999999997 111.136 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.49 -20.13 63.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 72.519999999999996 112.448 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.749 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -64.69 -21.14 66.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 72.25 112.484 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 m -114.11 -38.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 72.230000000000004 111.101 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 36' ' ' VAL . 11.9 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 64.209999999999994 111.132 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.912 0.387 . . . . 72.430000000000007 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -93.86 -22.65 18.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 54.409999999999997 110.883 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -70.13 84.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.310000000000002 110.864 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -115.05 -43.34 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 110.876 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -129.96 141.03 50.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 72.219999999999999 110.865 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.63 127.22 32.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 73.099999999999994 110.862 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.08 -75.61 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 53.539999999999999 112.443 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.748 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -166.39 171.64 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 74.230000000000004 110.928 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -10.75 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 64.310000000000002 110.879 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.748 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.5 113.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.109999999999999 111.109 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -63.48 -22.27 66.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 74.430000000000007 110.867 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.422 ' H ' HG22 ' A' ' 12' ' ' VAL . 8.9 t60 -61.46 -18.5 59.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 62.299999999999997 110.822 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.548 ' HB3' HG13 ' A' ' 12' ' ' VAL . 6.4 pt20 -75.34 -6.37 49.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 64.420000000000002 110.896 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -24.96 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 65.549999999999997 110.892 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -20.44 26.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 62.539999999999999 110.908 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.5 p -55.85 -20.55 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 71.120000000000005 111.166 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -49.78 -29.7 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 65.319999999999993 110.914 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.79 -29.71 20.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 72.409999999999997 110.898 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.49 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -88.16 -28.5 21.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.129999999999995 111.092 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -79.19 -20.63 47.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 71.409999999999997 110.9 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.28 32.37 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.25 110.86 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 21' ' ' ALA . 17.4 m -78.75 -25.7 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.030000000000001 111.154 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.29 123.32 7.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 71.430000000000007 112.448 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.8 m -96.5 153.72 17.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.894 0.378 . . . . 75.340000000000003 110.849 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -106.7 175.91 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 65.219999999999999 110.9 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -109.39 -27.93 9.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.879 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.85 -53.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 74.319999999999993 112.512 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.73 38.19 29.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 65.319999999999993 111.042 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.5 pt -61.05 -25.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 72.430000000000007 111.166 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.8 mt -76.38 -33.65 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 73.340000000000003 111.152 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.66 109.39 3.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 65.510000000000005 112.526 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.42 -40.74 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 60.229999999999997 110.919 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mmt -133.68 155.13 50.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.120000000000005 110.864 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.723 HG12 ' H ' ' A' ' 38' ' ' GLY . 24.6 t -133.05 141.12 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.109999999999999 111.133 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.84 -21.47 61.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 52.049999999999997 112.466 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.723 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -78.15 -28.48 56.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.727 -0.749 . . . . 75.450000000000003 112.471 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.1 t -91.69 -37.09 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 65.430000000000007 111.106 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 64.129999999999995 111.113 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.891 0.377 . . . . 72.530000000000001 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -111.69 -28.5 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 54.240000000000002 110.852 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.62 154.73 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.030000000000001 110.851 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -90.6 -55.99 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.239999999999995 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -157.64 151.14 23.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.510000000000005 110.871 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 p -171.22 146.56 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 72.0 110.883 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.11 46.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.707 -0.758 . . . . 73.25 112.462 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.777 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -107.8 171.04 7.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.84 0.352 . . . . 72.129999999999995 110.912 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -79.3 -21.15 46.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 73.25 110.883 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.777 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.4 p -51.11 114.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 74.209999999999994 111.1 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -80.36 -22.29 41.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 73.129999999999995 110.89 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -58.34 -25.42 61.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 72.239999999999995 110.914 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.557 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.3 pt20 -75.72 -6.35 50.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 53.119999999999997 110.929 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -51.63 -25.03 6.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.019999999999996 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.74 24.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 62.200000000000003 110.907 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.55 -20.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 73.340000000000003 111.089 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.58 -30.1 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 75.010000000000005 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.45 -29.75 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 75.140000000000001 110.916 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -94.31 -24.61 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 60.520000000000003 111.084 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -77.69 -26.09 49.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 110.85 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -101.24 36.33 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 72.430000000000007 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -79.03 -25.66 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.239999999999995 111.179 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.9 165.61 19.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 53.210000000000001 112.494 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -93.02 131.87 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 75.319999999999993 110.859 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -106.73 -68.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 65.530000000000001 110.883 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 62.24 17.77 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 71.099999999999994 110.903 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.12 37.15 2.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 55.229999999999997 112.443 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.96 29.49 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 73.530000000000001 111.091 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.3 pt -63.94 -26.89 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 111.143 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.0 mp -67.8 -28.2 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.439999999999998 111.171 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.55 119.52 6.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 52.340000000000003 112.456 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tp -52.71 -36.65 57.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 65.019999999999996 110.877 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.3 146.71 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.049999999999997 110.904 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 39' ' ' VAL . 20.8 m -100.61 164.17 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 74.549999999999997 111.132 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.99 -19.79 46.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 73.140000000000001 112.517 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.94 -41.48 82.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 62.310000000000002 112.483 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.441 HG23 HG22 ' A' ' 40' ' ' VAL . 19.8 m -81.18 -25.36 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.376 . . . . 72.209999999999994 111.157 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.441 HG22 HG23 ' A' ' 39' ' ' VAL . 11.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.319999999999993 111.156 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.873 0.368 . . . . 73.120000000000005 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -105.92 -32.35 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 65.319999999999993 110.876 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 mtm-85 -61.41 114.36 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 53.450000000000003 110.899 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -90.02 -46.74 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 65.450000000000003 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.3 -74.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 61.200000000000003 110.892 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t 51.67 51.87 15.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 70.209999999999994 110.877 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.34 37.98 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 72.019999999999996 112.484 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.772 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -125.98 170.95 11.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 65.319999999999993 110.91 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.33 -20.99 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 74.519999999999996 110.927 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.772 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.5 p -51.23 114.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 71.510000000000005 111.098 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -82.48 -20.75 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.540000000000006 110.853 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -60.4 -23.37 64.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 72.319999999999993 110.842 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.561 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.8 pt20 -75.46 -6.38 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 110.942 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -24.92 6.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 63.350000000000001 110.913 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -20.72 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 75.040000000000006 110.92 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.59 -20.67 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 72.450000000000003 111.176 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.61 -30.05 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.150000000000006 110.913 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.48 -29.77 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.540000000000006 110.849 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.73 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -94.3 -24.36 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 44.5 111.086 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -79.27 -11.22 59.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 72.209999999999994 110.826 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.83 29.08 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.864 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 21' ' ' ALA . 5.9 m -57.4 -28.68 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 63.43 111.132 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.93 156.45 22.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 70.129999999999995 112.495 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -105.08 147.62 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 72.109999999999999 110.861 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -89.82 100.85 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.340000000000003 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -83.57 -55.21 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 110.893 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.08 94.0 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 62.200000000000003 112.467 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.32 42.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.714 0.293 . . . . 51.229999999999997 111.071 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.4 pt -63.77 -26.34 40.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 64.540000000000006 111.146 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -78.53 -26.91 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.439999999999998 111.145 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.82 107.43 3.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 63.229999999999997 112.456 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 34' ' ' LEU . 4.8 tt -71.56 -38.53 70.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 71.540000000000006 110.956 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.7 ptp -138.75 152.69 48.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 75.439999999999998 110.874 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 40' ' ' VAL . 34.4 m -134.41 156.82 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.349999999999994 111.135 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.23 -19.8 58.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 71.010000000000005 112.497 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.49 -21.77 49.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 73.129999999999995 112.478 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.532 HG22 HG23 ' A' ' 36' ' ' VAL . 27.4 m -106.18 -27.48 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 64.239999999999995 111.123 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 36' ' ' VAL . 8.5 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 64.129999999999995 111.125 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.913 0.387 . . . . 61.200000000000003 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -80.54 -30.1 37.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 72.209999999999994 110.879 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -90.91 160.04 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 110.878 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -85.27 143.25 28.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 62.130000000000003 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -55.96 -26.4 47.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 73.129999999999995 110.928 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -56.53 152.99 10.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 75.040000000000006 110.855 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.87 81.09 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 54.329999999999998 112.489 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.789 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -100.55 171.62 7.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 73.319999999999993 110.924 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.27 -11.05 59.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 110.866 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.789 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.42 113.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.010000000000005 111.127 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -74.08 -21.68 59.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 75.219999999999999 110.851 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -58.3 -25.46 61.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 73.099999999999994 110.877 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.555 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.3 pt20 -75.74 -6.28 49.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 62.539999999999999 110.855 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -51.65 -25.05 6.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 65.099999999999994 110.903 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.68 24.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 44.100000000000001 110.928 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.2 p -55.6 -20.68 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 54.100000000000001 111.101 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.66 -29.99 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.019999999999996 110.875 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.81 17.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 73.120000000000005 110.87 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -95.46 -25.08 16.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 52.219999999999999 111.127 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -76.44 -26.27 55.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 110.914 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -103.55 36.44 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 62.530000000000001 110.937 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -77.68 -26.17 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 71.519999999999996 111.101 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.22 165.33 31.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 32.43 112.486 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -93.21 125.25 37.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 71.150000000000006 110.836 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -107.35 -73.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 71.519999999999996 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt 62.67 19.36 11.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 65.109999999999999 110.887 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.39 -111.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 74.209999999999994 112.491 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.06 37.0 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 44.439999999999998 111.1 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.4 pt -57.59 -27.25 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 64.439999999999998 111.166 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mm -77.9 -39.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 71.219999999999999 111.134 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.6 128.06 8.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 50.210000000000001 112.504 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 tt -63.56 -41.24 98.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 72.209999999999994 110.917 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ptp -147.35 151.35 36.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 64.349999999999994 110.881 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.443 HG23 HG23 ' A' ' 39' ' ' VAL . 31.3 m -123.97 142.4 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.109999999999999 111.095 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.85 -20.58 57.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 72.049999999999997 112.47 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.45 -20.94 53.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 62.32 112.466 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.443 HG23 HG23 ' A' ' 36' ' ' VAL . 48.2 t -91.63 -43.51 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.814 0.34 . . . . 54.219999999999999 111.098 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 71.409999999999997 111.14 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 56.8 t0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.804 0.335 . . . . 63.119999999999997 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.68 135.18 54.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 61.109999999999999 111.066 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -84.8 151.09 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.510000000000005 110.87 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -115.89 -33.93 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 71.340000000000003 110.877 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -130.0 130.15 44.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 72.439999999999998 110.849 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -117.52 45.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.329999999999998 110.848 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -173.07 150.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 71.510000000000005 110.85 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.4 m -64.3 172.7 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.896 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.76 -80.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.748 -0.739 . . . . 64.25 112.496 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.792 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -152.28 171.61 17.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 74.349999999999994 110.953 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -79.3 -11.07 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 71.540000000000006 110.865 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.42 113.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.099999999999994 111.177 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -74.26 -21.66 59.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 72.439999999999998 110.872 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -58.35 -25.41 61.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 110.841 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.545 ' O ' HG12 ' A' ' 18' ' ' VAL . 2.8 pt20 -75.72 -6.28 49.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 72.409999999999997 110.946 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -51.69 -24.99 6.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.019999999999996 110.921 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.66 24.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 75.239999999999995 110.92 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.75 -20.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 73.340000000000003 111.112 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.71 -29.86 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 64.450000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.65 -29.71 18.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 62.409999999999997 110.871 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.63 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.84 -24.29 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 75.010000000000005 111.09 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -79.15 -23.27 44.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 75.140000000000001 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -87.1 51.88 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 54.439999999999998 110.889 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.1 m -79.3 -29.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 64.409999999999997 111.154 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.75 162.24 25.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 74.510000000000005 112.506 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 t -125.85 124.99 42.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.372 . . . . 51.409999999999997 110.875 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -65.08 144.2 57.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 63.340000000000003 110.882 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -73.09 -52.49 14.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 110.889 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.76 112.77 0.6 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.76 . . . . 64.340000000000003 112.476 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.46 30.0 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 73.439999999999998 111.058 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.0 pt -55.29 -26.54 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 63.210000000000001 111.148 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.0 mt -71.53 -31.01 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 72.340000000000003 111.107 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.34 111.68 3.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 64.109999999999999 112.538 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.0 -32.83 74.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 63.229999999999997 110.912 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.5 mmm -137.08 162.3 33.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 74.450000000000003 110.909 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.688 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.6 t -115.43 141.43 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 43.399999999999999 111.145 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.16 -20.61 54.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 75.25 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.688 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -54.16 -36.4 56.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 50.439999999999998 112.477 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.686 HG23 HG23 ' A' ' 40' ' ' VAL . 34.0 m -105.39 -25.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 72.439999999999998 111.113 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.686 HG23 HG23 ' A' ' 39' ' ' VAL . 57.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 71.420000000000002 111.163 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 75.099999999999994 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.87 163.8 23.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 64.209999999999994 111.165 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -68.43 166.65 16.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 71.129999999999995 110.917 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -84.37 -171.14 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.519999999999996 110.881 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -52.81 107.89 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.230000000000004 110.838 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -72.28 -27.13 62.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.409999999999997 110.884 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -65.01 177.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 74.400000000000006 110.881 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -87.2 -52.78 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 65.420000000000002 110.904 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.51 -62.23 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 55.420000000000002 112.468 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.799 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -149.17 171.03 17.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 72.310000000000002 110.885 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -79.33 -21.03 46.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 73.510000000000005 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.799 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.3 p -51.2 114.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 65.200000000000003 111.1 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -67.43 -22.18 65.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.140000000000001 110.827 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -58.32 -22.39 52.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 71.329999999999998 110.83 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.558 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.5 pt20 -75.31 -6.4 49.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 71.099999999999994 110.933 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -25.02 6.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 72.439999999999998 110.898 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -20.62 25.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 71.510000000000005 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.63 -20.6 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 64.129999999999995 111.142 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.71 -30.0 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.349999999999994 110.864 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.48 -29.76 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 73.129999999999995 110.867 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -92.7 -25.73 18.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 54.200000000000003 111.091 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -77.41 -26.22 51.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 74.099999999999994 110.911 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -101.62 36.32 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.340000000000003 110.866 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.5 m -78.85 -27.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 54.450000000000003 111.142 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -132.78 107.22 0.69 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 42.310000000000002 112.446 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -90.58 160.05 16.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 55.509999999999998 110.86 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -75.87 -179.01 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 110.899 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.24 -30.7 13.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 110.888 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.35 -65.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 32.520000000000003 112.469 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.97 30.09 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.713 0.292 . . . . 75.230000000000004 111.102 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 pt -58.18 -26.6 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.8 mt -56.56 -31.36 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.540000000000006 111.127 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.5 139.79 15.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 75.430000000000007 112.484 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.44 -36.99 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 73.019999999999996 110.937 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.83 154.85 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 61.530000000000001 110.898 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.532 HG23 HG22 ' A' ' 39' ' ' VAL . 33.2 m -98.89 152.89 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 62.299999999999997 111.099 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.4 -20.07 49.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 42.32 112.492 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.02 -28.86 69.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 53.399999999999999 112.502 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.532 HG22 HG23 ' A' ' 36' ' ' VAL . 34.9 m -81.03 -31.86 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 71.120000000000005 111.12 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.423 HG22 HG23 ' A' ' 39' ' ' VAL . 26.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.209999999999994 111.108 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.797 0.332 . . . . 71.109999999999999 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.94 147.71 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 72.549999999999997 111.107 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.88 143.85 46.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 73.010000000000005 110.926 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -114.15 -170.24 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 74.150000000000006 110.832 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 151.71 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 73.450000000000003 110.872 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -75.83 -71.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 64.400000000000006 110.873 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -156.97 174.79 14.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 62.43 110.85 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -64.21 132.02 49.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 63.229999999999997 110.832 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.38 -33.32 2.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.77 . . . . 74.310000000000002 112.439 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.757 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -111.8 171.59 7.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 75.25 110.945 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -79.26 -11.06 59.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 64.510000000000005 110.852 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.757 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.53 113.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 60.329999999999998 111.091 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -79.2 -22.33 45.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 75.230000000000004 110.891 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -58.39 -25.45 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 72.209999999999994 110.854 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.554 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.3 pt20 -75.71 -6.29 49.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 74.25 110.901 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -51.68 -25.02 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.420000000000002 110.905 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.7 24.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 72.150000000000006 110.932 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.59 -20.64 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.150000000000006 111.149 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.61 -30.07 8.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.83 17.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 74.420000000000002 110.904 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -94.19 -24.88 17.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 63.530000000000001 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -77.39 -26.25 51.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 63.219999999999999 110.895 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -101.53 36.52 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.219999999999999 110.871 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -79.09 -25.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 111.148 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.34 149.69 16.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.746 . . . . 55.439999999999998 112.446 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.2 p -109.38 163.96 12.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 74.329999999999998 110.849 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -116.54 173.93 6.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 71.400000000000006 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -79.11 -55.86 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 70.140000000000001 110.92 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.01 124.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 74.140000000000001 112.521 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.43 37.49 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 60.130000000000003 111.12 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 pt -55.77 -30.29 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 70.219999999999999 111.089 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.8 mt -71.88 -28.36 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 63.130000000000003 111.129 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.66 123.68 7.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 71.549999999999997 112.503 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -51.74 60.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 72.450000000000003 110.893 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -137.87 154.92 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 71.109999999999999 110.851 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 38' ' ' GLY . 32.0 t -107.24 144.63 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 72.349999999999994 111.129 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.07 -31.83 59.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.709 . . . . 53.219999999999999 112.453 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.574 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -70.58 -26.12 74.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 70.140000000000001 112.443 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.4 t -89.59 -25.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 72.439999999999998 111.078 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 72.439999999999998 111.179 179.908 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.843 0.354 . . . . 63.420000000000002 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.7 179.02 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 74.219999999999999 111.086 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.66 114.92 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 64.439999999999998 110.914 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -70.52 -178.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 75.040000000000006 110.945 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -55.31 108.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 74.140000000000001 110.871 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -109.28 29.55 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 54.119999999999997 110.842 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -128.87 166.68 18.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.409999999999997 110.914 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -54.42 168.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 35.549999999999997 110.877 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.61 -90.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.687 -0.768 . . . . 72.430000000000007 112.506 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.79 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -143.24 171.6 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 74.120000000000005 110.937 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.22 -11.08 59.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 63.5 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.79 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.47 113.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 61.109999999999999 111.111 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -75.95 -21.72 56.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.430000000000007 110.816 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -58.35 -25.43 61.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 73.549999999999997 110.917 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.557 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 pt20 -75.75 -6.2 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.310000000000002 110.932 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -51.74 -24.96 6.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 55.310000000000002 110.909 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.75 24.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 110.924 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.54 -20.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.349999999999994 111.137 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.63 -30.03 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 64.049999999999997 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.39 -29.88 17.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.219999999999999 110.89 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.44 -25.08 17.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 75.239999999999995 111.114 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -77.57 -26.34 50.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.099999999999994 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.18 36.44 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 61.140000000000001 110.867 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.2 m -79.19 -25.72 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 74.25 111.158 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.47 157.07 22.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.754 . . . . 70.349999999999994 112.473 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -114.85 142.03 47.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 51.219999999999999 110.827 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -86.03 155.7 20.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 75.129999999999995 110.904 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -82.33 -48.66 10.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 75.549999999999997 110.913 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.26 -79.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 71.230000000000004 112.442 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.74 44.96 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 73.329999999999998 111.05 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.8 pt -76.43 -27.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 111.133 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.85 -26.89 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 72.209999999999994 111.152 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.67 119.7 6.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 31.210000000000001 112.462 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.57 -51.05 71.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 71.549999999999997 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.8 mmt -136.82 161.51 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 51.340000000000003 110.833 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.669 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.0 t -114.32 142.47 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 72.019999999999996 111.093 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.5 -19.62 54.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 30.149999999999999 112.482 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.669 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -67.55 -23.44 73.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 61.149999999999999 112.506 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 m -112.72 -27.36 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 74.239999999999995 111.146 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 36' ' ' VAL . 11.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 111.129 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.836 0.351 . . . . 62.119999999999997 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.41 150.04 43.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 65.099999999999994 111.086 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -73.54 127.43 32.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.923 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -90.84 -32.15 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 65.109999999999999 110.864 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -52.15 123.6 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 51.210000000000001 110.874 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -117.54 178.49 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.887 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -73.79 -64.99 0.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 72.519999999999996 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -150.01 156.25 41.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 74.340000000000003 110.856 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.56 -98.42 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 64.200000000000003 112.479 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.767 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -165.86 171.56 12.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 72.420000000000002 110.877 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -79.21 -10.58 59.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 72.25 110.871 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.54 113.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 74.049999999999997 111.128 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -67.01 -22.46 65.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.922 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -58.38 -24.45 59.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.539999999999999 110.83 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.551 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.8 pt20 -75.6 -6.34 49.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.209999999999994 110.936 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -24.98 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 53.119999999999997 110.902 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -20.73 25.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.450000000000003 110.862 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.61 -20.62 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.239999999999995 111.158 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.62 -30.0 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 110.909 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.45 -29.79 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.409999999999997 110.887 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -92.98 -25.52 17.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 42.140000000000001 111.086 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -77.37 -26.33 51.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 72.310000000000002 110.895 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.46 31.76 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.856 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 21' ' ' ALA . 15.4 m -67.35 -30.68 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 75.439999999999998 111.162 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.28 101.28 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 63.200000000000003 112.494 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.5 t -169.7 165.4 10.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.389 . . . . 70.140000000000001 110.822 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m120 60.1 48.49 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 75.219999999999999 110.923 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.12 -25.59 67.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 110.911 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.19 -43.9 0.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 70.129999999999995 112.488 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 53.65 40.9 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 74.519999999999996 111.106 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.6 pt -69.27 -27.36 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.25 111.168 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.23 -29.75 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.109999999999999 111.164 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.11 115.1 1.59 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 64.120000000000005 112.484 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.9 -27.44 52.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.79 0.329 . . . . 72.349999999999994 110.907 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.9 mtp -137.11 164.34 28.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 70.109999999999999 110.847 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.745 HG12 ' H ' ' A' ' 38' ' ' GLY . 21.8 t -135.6 138.87 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 74.400000000000006 111.151 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.52 -21.06 79.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 74.530000000000001 112.502 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.745 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -52.77 -27.71 28.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 71.329999999999998 112.465 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 36' ' ' VAL . 34.3 m -67.39 -32.54 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 74.239999999999995 111.159 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 111.137 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.804 0.335 . . . . 70.099999999999994 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.81 179.71 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 63.229999999999997 111.078 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -120.91 169.68 10.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 72.150000000000006 110.884 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -124.07 163.81 20.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 73.430000000000007 110.902 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 146.29 33.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 72.430000000000007 110.89 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -128.12 105.43 8.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 70.150000000000006 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -166.35 164.42 17.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 110.89 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t -96.48 105.12 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 70.319999999999993 110.867 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.73 -66.72 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 62.130000000000003 112.497 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.785 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -123.83 171.62 9.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.35 . . . . 71.510000000000005 110.924 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -11.18 59.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 61.409999999999997 110.879 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.785 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.47 113.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.400000000000006 111.093 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -73.28 -22.5 60.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.099999999999994 110.871 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -58.22 -22.84 53.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 71.109999999999999 110.827 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.545 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.57 -6.37 49.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 64.239999999999995 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -24.98 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 73.530000000000001 110.95 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -20.59 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 75.409999999999997 110.967 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.64 -20.64 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 61.409999999999997 111.158 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.62 -30.02 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.510000000000005 110.88 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.84 17.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 72.349999999999994 110.868 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -83.16 -33.34 26.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 54.119999999999997 111.143 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -74.58 -26.32 59.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 61.520000000000003 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.49 41.46 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 73.409999999999997 110.917 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -78.77 -26.84 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 74.340000000000003 111.161 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.3 147.8 19.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 70.040000000000006 112.496 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -111.73 149.03 32.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 73.209999999999994 110.868 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -112.33 139.54 47.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 60.409999999999997 110.915 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -69.82 -32.56 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.019999999999996 110.934 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.66 116.48 0.77 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 70.519999999999996 112.485 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.45 32.39 6.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 53.530000000000001 111.049 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.0 pt -66.5 -27.06 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 63.030000000000001 111.119 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.5 mt -54.31 -28.61 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 71.030000000000001 111.1 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.8 123.44 6.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 32.130000000000003 112.493 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.5 tp -55.28 -35.77 65.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 74.310000000000002 110.913 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -143.35 157.3 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 64.030000000000001 110.938 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.709 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.9 t -105.63 132.08 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 75.329999999999998 111.119 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.53 -22.18 74.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 42.520000000000003 112.517 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.709 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -52.6 -39.91 54.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 52.119999999999997 112.497 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.9 m -88.59 -27.84 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 71.349999999999994 111.156 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 74.209999999999994 111.136 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.815 0.341 . . . . 72.099999999999994 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.14 176.01 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 111.101 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -114.41 121.59 44.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 74.200000000000003 110.837 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -103.99 -30.61 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.129999999999995 110.878 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -52.08 124.23 12.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 63.439999999999998 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -154.44 173.36 16.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 110.884 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -56.14 155.26 6.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 72.099999999999994 110.823 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.4 p -55.16 107.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 70.450000000000003 110.84 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.21 -63.28 5.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 32.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.752 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -162.04 171.59 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 74.439999999999998 110.916 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.17 -11.02 59.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 74.450000000000003 110.85 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.752 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.42 113.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 73.239999999999995 111.103 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -65.93 -23.29 66.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 61.399999999999999 110.866 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -59.87 -20.64 58.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 75.209999999999994 110.836 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.555 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.46 -6.38 49.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 70.310000000000002 110.89 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -24.97 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 64.510000000000005 110.884 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -20.67 25.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.010000000000005 110.876 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.63 -20.64 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 53.229999999999997 111.134 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.69 -29.93 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.450000000000003 110.843 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.5 -29.83 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 62.32 110.911 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -91.52 -26.39 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 71.319999999999993 111.089 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -77.26 -25.94 52.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.120000000000005 110.918 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -101.89 34.32 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 71.140000000000001 110.887 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 21' ' ' ALA . 25.3 m -79.12 -28.4 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 44.229999999999997 111.177 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.99 130.0 10.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 61.020000000000003 112.514 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.7 m -113.47 109.51 18.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 63.520000000000003 110.85 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -54.18 124.47 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 72.540000000000006 110.834 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -58.27 -49.02 78.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 62.219999999999999 110.863 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.73 93.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 64.019999999999996 112.497 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.2 40.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 72.409999999999997 111.119 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 pt -55.78 -25.96 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 52.149999999999999 111.136 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -78.42 -37.37 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 70.120000000000005 111.13 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.25 124.18 7.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 73.329999999999998 112.476 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.96 -45.47 20.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.768 0.318 . . . . 73.329999999999998 110.91 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -150.28 160.8 43.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 110.882 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -126.95 165.68 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 71.230000000000004 111.138 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.93 -21.91 68.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 61.240000000000002 112.49 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.28 -39.17 96.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 53.520000000000003 112.485 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.7 t -75.45 -44.59 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 62.43 111.164 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 64.219999999999999 111.109 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.809 0.338 . . . . 72.549999999999997 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.64 164.81 5.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 64.109999999999999 111.073 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -75.45 137.6 41.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 62.210000000000001 110.862 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -52.36 -30.81 30.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 110.845 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.61 109.34 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 62.420000000000002 110.896 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -107.23 26.97 9.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 72.310000000000002 110.835 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.91 -33.84 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 70.010000000000005 110.865 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.41 160.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 72.450000000000003 110.813 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.94 40.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 51.039999999999999 112.459 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.778 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -137.98 171.63 14.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.871 0.367 . . . . 75.209999999999994 110.918 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -79.22 -11.87 59.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 73.430000000000007 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.778 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.8 p -51.29 114.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 50.219999999999999 111.152 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -79.38 -22.33 44.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 65.519999999999996 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -58.38 -25.46 62.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.863 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.546 ' O ' HG12 ' A' ' 18' ' ' VAL . 7.4 pt20 -75.82 -6.25 49.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 74.219999999999999 110.88 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -51.65 -25.08 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.897 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -20.67 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.120000000000005 110.908 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.4 p -55.63 -20.64 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 54.020000000000003 111.127 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.63 -30.04 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 52.450000000000003 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.41 -29.82 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 61.450000000000003 110.889 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.625 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -96.43 -23.09 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 50.329999999999998 111.099 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -78.36 -22.6 47.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 110.918 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.05 51.94 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 52.200000000000003 110.871 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.2 m -79.28 -28.04 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.519999999999996 111.145 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.7 161.75 13.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 65.109999999999999 112.488 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 p -103.73 140.38 37.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.928 0.394 . . . . 75.340000000000003 110.857 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -63.27 123.81 19.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 63.409999999999997 110.94 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -76.52 -46.16 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.140000000000001 110.908 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.14 119.57 0.89 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 53.219999999999999 112.52 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.49 48.93 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 43.049999999999997 111.119 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.9 pt -56.24 -25.77 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 71.409999999999997 111.126 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.2 -30.33 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 62.520000000000003 111.127 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.61 99.08 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 71.140000000000001 112.467 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mp -55.54 -52.37 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.838 0.351 . . . . 70.329999999999998 110.902 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -134.18 150.08 51.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 72.420000000000002 110.901 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.38 161.59 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 71.450000000000003 111.123 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.98 -23.18 62.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 74.239999999999995 112.512 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.18 -22.21 55.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 41.399999999999999 112.451 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.626 HG23 HG23 ' A' ' 40' ' ' VAL . 30.9 m -111.46 -29.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 62.329999999999998 111.14 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.626 HG23 HG23 ' A' ' 39' ' ' VAL . 59.2 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 75.150000000000006 111.151 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.8 0.334 . . . . 75.120000000000005 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.76 170.82 7.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 75.239999999999995 111.092 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -90.0 179.86 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 110.876 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.476 ' CB ' ' HB1' ' A' ' 21' ' ' ALA . 16.6 p90 -109.6 21.79 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 72.430000000000007 110.935 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -96.72 55.55 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 65.340000000000003 110.876 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -75.51 -36.61 60.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 61.149999999999999 110.818 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -103.72 143.79 32.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.349999999999994 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -63.53 170.3 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 73.430000000000007 110.872 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.75 97.59 2.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 65.549999999999997 112.537 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.79 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.9 t80 -96.97 171.07 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 70.219999999999999 110.894 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.36 -21.05 46.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 74.329999999999998 110.89 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.79 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.4 p -51.15 114.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 73.310000000000002 111.123 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -69.42 -22.44 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.239999999999995 110.88 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -58.3 -25.18 61.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 61.240000000000002 110.841 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.59 -6.37 50.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 61.299999999999997 110.913 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -51.73 -24.96 6.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.409999999999997 110.902 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -20.69 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 63.240000000000002 110.891 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.67 -20.68 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 111.095 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.64 -29.96 8.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.409999999999997 110.895 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.84 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 55.450000000000003 110.917 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.45 -25.06 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 61.409999999999997 111.154 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.79 -26.22 54.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 71.340000000000003 110.896 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -102.84 37.28 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.409999999999997 110.905 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.1 m -78.98 -28.32 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 74.299999999999997 111.165 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.83 152.87 21.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.72 . . . . 73.519999999999996 112.527 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 t -91.52 141.76 28.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 73.439999999999998 110.859 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -96.86 -177.96 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 74.099999999999994 110.911 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -108.46 -64.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.340000000000003 110.879 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.36 118.41 0.83 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.735 . . . . 71.310000000000002 112.491 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.41 31.12 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 53.240000000000002 111.116 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 pt -57.51 -26.12 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 72.140000000000001 111.14 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.7 mt -63.21 -35.38 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.400000000000006 111.135 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.83 153.19 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 61.439999999999998 112.5 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.62 -49.26 63.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 74.129999999999995 110.943 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.509 ' HB3' HG21 ' A' ' 40' ' ' VAL . 37.6 mtt -147.19 160.05 42.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 73.319999999999993 110.843 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.727 HG12 ' H ' ' A' ' 38' ' ' GLY . 22.9 t -118.84 139.46 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 54.409999999999997 111.153 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.65 -19.63 58.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 33.219999999999999 112.489 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.727 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -68.88 -24.44 75.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 74.349999999999994 112.506 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -112.15 -36.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 62.439999999999998 111.09 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 36' ' ' VAL . 27.0 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 65.200000000000003 111.124 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.3 p30 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.78 0.324 . . . . 74.400000000000006 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.86 137.07 57.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.019999999999996 111.066 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -71.81 152.4 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 75.310000000000002 110.844 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -53.16 171.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 73.310000000000002 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.82 174.73 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 70.099999999999994 110.841 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -67.51 -72.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 63.409999999999997 110.868 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -123.43 -73.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 65.530000000000001 110.866 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.3 m 52.11 47.96 23.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 55.310000000000002 110.848 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 92.45 1.06 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 72.099999999999994 112.535 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.755 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -145.84 171.67 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 74.200000000000003 110.919 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -79.29 -11.14 59.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 70.400000000000006 110.863 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.755 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.7 p -51.38 113.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 60.210000000000001 111.129 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -72.92 -20.89 60.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.85 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -61.11 -18.9 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 62.109999999999999 110.812 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 18' ' ' VAL . 8.9 pt20 -75.28 -6.41 49.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 75.239999999999995 110.871 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -24.97 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 65.019999999999996 110.854 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -20.58 25.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 55.310000000000002 110.881 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.76 -20.57 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 61.340000000000003 111.09 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.69 -29.84 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 60.229999999999997 110.893 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.69 -29.71 19.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 63.299999999999997 110.886 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 24' ' ' VAL . . . -92.4 -25.33 18.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 63.509999999999998 111.122 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -78.39 -25.19 46.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 71.310000000000002 110.883 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -96.74 26.29 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.540000000000006 110.873 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 21' ' ' ALA . 27.0 m -79.22 -26.5 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.049999999999997 111.096 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.29 115.77 4.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 44.32 112.483 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -93.57 117.73 30.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 73.530000000000001 110.885 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 18.9 p30 -73.48 168.35 19.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 73.409999999999997 110.893 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -93.96 -29.87 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.319999999999993 110.867 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.41 -45.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 73.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.528 ' HB2' ' ND2' ' A' ' 27' ' ' ASN . . . 60.04 27.32 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 75.400000000000006 111.088 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.1 pt -56.12 -25.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 111.118 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.1 -28.29 44.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 61.210000000000001 111.145 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.57 120.43 2.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 60.240000000000002 112.473 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 mt -52.11 -55.92 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.341 . . . . 74.129999999999995 110.894 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.2 153.75 51.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 52.350000000000001 110.899 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.655 HG12 ' H ' ' A' ' 38' ' ' GLY . 23.6 t -108.42 143.55 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 51.539999999999999 111.181 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.35 -25.97 63.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.812 -0.709 . . . . 32.549999999999997 112.479 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.655 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -66.1 -27.95 73.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 60.100000000000001 112.462 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.4 t -89.33 -39.31 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 73.329999999999998 111.1 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 73.209999999999994 111.123 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.803 0.335 . . . . 74.010000000000005 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.62 125.43 27.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 50.439999999999998 111.107 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -67.95 135.34 52.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 110.91 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -102.19 -31.79 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 110.912 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -52.39 111.71 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 71.319999999999993 110.859 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -137.71 163.57 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 74.200000000000003 110.884 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.61 175.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 72.219999999999999 110.873 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -59.36 109.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 64.310000000000002 110.844 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.48 -78.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 52.340000000000003 112.464 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.76 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -151.55 171.62 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 54.130000000000003 110.955 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.23 -10.88 59.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 74.239999999999995 110.864 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.76 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.49 113.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 51.009999999999998 111.09 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -69.17 -21.12 64.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 55.43 110.866 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -62.46 -17.29 59.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 54.439999999999998 110.802 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.558 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.8 pt20 -75.34 -6.41 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.239999999999995 110.887 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -51.72 -25.0 6.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 75.310000000000002 110.894 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -20.61 25.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 43.5 110.893 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.58 -20.65 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 71.030000000000001 111.126 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -49.63 -30.0 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 110.899 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.47 -29.8 17.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.901 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -92.7 -25.72 18.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 72.209999999999994 111.125 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.66 -26.27 54.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 71.439999999999998 110.83 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -103.35 36.47 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 65.120000000000005 110.833 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 21' ' ' ALA . 20.9 m -78.95 -31.98 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 65.340000000000003 111.119 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.73 145.64 17.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 74.120000000000005 112.502 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.0 m -103.91 139.25 39.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 50.240000000000002 110.871 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -78.08 144.56 36.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.140000000000001 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -52.55 -53.39 46.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 64.25 110.902 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.24 111.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 64.219999999999999 112.493 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.29 42.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 65.129999999999995 111.07 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.9 pt -74.81 -28.33 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 64.510000000000005 111.087 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mt -75.26 -31.39 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 71.219999999999999 111.127 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.99 113.34 4.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 72.400000000000006 112.513 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.69 -49.09 77.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.332 . . . . 73.409999999999997 110.914 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.9 ptp -164.77 141.75 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 71.409999999999997 110.885 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 m -119.76 152.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 73.340000000000003 111.134 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.18 -20.99 76.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 33.420000000000002 112.491 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.49 -22.78 66.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.8 -0.714 . . . . 74.310000000000002 112.479 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.25 -33.29 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 73.099999999999994 111.135 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 40.32 111.141 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.862 0.363 . . . . 70.040000000000006 110.833 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.43 168.85 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 44.439999999999998 111.123 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -109.39 143.92 38.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 73.409999999999997 110.896 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -130.07 -170.14 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 71.450000000000003 110.815 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 129.65 45.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 73.230000000000004 110.895 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -120.42 57.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.010000000000005 110.907 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -136.52 169.59 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 75.439999999999998 110.884 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.7 p -71.5 159.68 34.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 72.019999999999996 110.853 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.64 -53.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 40.229999999999997 112.448 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.777 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -156.18 171.59 19.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 74.340000000000003 110.946 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -79.2 -11.23 59.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.430000000000007 110.948 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.777 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.45 113.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 75.219999999999999 111.157 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -75.25 -19.86 59.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 74.310000000000002 110.84 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -62.37 -17.29 58.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 72.230000000000004 110.843 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 pt20 -75.34 -6.44 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.049999999999997 110.879 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -51.75 -24.96 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 75.129999999999995 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -20.61 24.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 64.340000000000003 110.925 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.66 -20.61 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.133 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -49.6 -30.04 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 63.520000000000003 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.41 -29.86 17.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 52.340000000000003 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.522 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.61 -25.21 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 72.510000000000005 111.134 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -76.61 -26.72 55.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.540000000000006 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.62 41.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 64.329999999999998 110.9 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 21' ' ' ALA . 20.7 m -79.03 -25.85 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.329999999999998 111.12 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.66 134.16 7.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 71.310000000000002 112.511 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.3 p -91.46 143.31 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 72.319999999999993 110.883 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -85.2 155.48 21.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.5 110.864 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -63.37 -45.59 90.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 53.439999999999998 110.91 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -150.93 -41.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 44.43 112.479 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.09 47.13 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.72 0.295 . . . . 64.120000000000005 111.124 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 pt -65.12 -25.34 37.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 51.310000000000002 111.143 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.491 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.4 mp -75.69 -37.93 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 73.140000000000001 111.118 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.99 119.43 5.54 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 62.329999999999998 112.512 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.89 -55.22 28.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 73.230000000000004 110.932 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.1 ptp -148.76 158.35 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.875 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -96.76 159.34 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 74.409999999999997 111.121 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.16 -19.97 47.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 53.420000000000002 112.495 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.97 -29.76 59.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 63.119999999999997 112.486 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -91.85 -29.83 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 73.409999999999997 111.13 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 70.510000000000005 111.132 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.82 0.343 . . . . 63.5 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.04 172.55 11.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 111.147 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -138.98 140.49 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 63.439999999999998 110.93 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -111.81 21.92 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 63.549999999999997 110.894 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.97 176.77 10.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.439999999999998 110.892 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -118.09 -44.19 2.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 73.049999999999997 110.815 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -145.87 122.18 10.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.519999999999996 110.838 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 t -155.89 157.45 36.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 54.210000000000001 110.851 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.13 75.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 63.25 112.483 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.768 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -144.73 171.02 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 62.520000000000003 110.98 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -79.37 -21.03 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 72.340000000000003 110.9 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.768 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.5 p -51.16 114.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 63.43 111.154 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.44 -22.3 41.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.329999999999998 110.835 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -58.36 -25.47 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 51.32 110.878 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.546 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.4 pt20 -75.75 -6.25 49.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.329999999999998 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -51.69 -25.06 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.230000000000004 110.909 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.69 24.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 71.109999999999999 110.909 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.62 -20.61 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 72.439999999999998 111.153 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.64 -30.02 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.46 -29.79 17.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 71.409999999999997 110.845 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.655 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.95 -25.11 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 61.100000000000001 111.136 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -79.25 -18.22 53.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 54.119999999999997 110.936 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.84 48.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 73.519999999999996 110.869 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 21' ' ' ALA . 17.4 m -79.24 -28.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 111.128 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.03 150.78 21.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 74.129999999999995 112.456 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -103.2 119.93 39.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 74.200000000000003 110.868 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -79.21 149.53 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 70.239999999999995 110.918 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -117.15 -74.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.49 112.75 3.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 53.119999999999997 112.466 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.1 42.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.306 . . . . 44.409999999999997 111.088 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.9 pt -72.19 -25.39 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 75.319999999999993 111.13 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.9 mm -74.23 -27.79 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 64.340000000000003 111.144 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.55 146.8 16.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 72.450000000000003 112.513 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.5 tp -77.4 -41.34 40.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 71.209999999999994 110.94 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.8 mtt -145.99 161.44 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 73.140000000000001 110.853 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.602 HG12 ' H ' ' A' ' 38' ' ' GLY . 24.4 t -95.06 139.84 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 64.219999999999999 111.112 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.33 -31.91 75.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 55.130000000000003 112.467 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.602 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -58.03 -34.3 72.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 52.439999999999998 112.511 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.5 t -86.16 -27.37 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 74.409999999999997 111.116 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 111.09 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.807 0.337 . . . . 63.310000000000002 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.67 167.92 19.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 62.030000000000001 111.112 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -110.96 142.57 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 63.420000000000002 110.867 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -112.54 18.13 18.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 75.409999999999997 110.865 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -86.92 85.97 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 71.540000000000006 110.86 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -124.78 153.55 42.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 71.310000000000002 110.824 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.19 109.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 54.329999999999998 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -164.95 137.39 4.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 73.230000000000004 110.852 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.66 83.61 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 53.340000000000003 112.466 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.771 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -136.08 171.6 14.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 62.030000000000001 110.944 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.23 -11.19 59.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 64.129999999999995 110.913 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.771 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.7 p -51.38 113.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 74.010000000000005 111.148 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -79.22 -22.27 45.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 64.030000000000001 110.889 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -58.34 -25.54 62.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 73.430000000000007 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.7 pt20 -75.69 -6.24 49.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 110.924 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -51.74 -24.98 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.310000000000002 110.87 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -20.69 24.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 75.329999999999998 110.931 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.57 -20.71 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 72.209999999999994 111.15 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.54 -30.08 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.319999999999993 110.902 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.84 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 63.030000000000001 110.834 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.54 -25.57 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 65.209999999999994 111.088 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -76.22 -26.71 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.030000000000001 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 39' ' ' VAL . 2.5 t70 -107.55 42.51 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 73.430000000000007 110.926 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 21' ' ' ALA . 21.4 m -78.13 -25.51 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 70.519999999999996 111.116 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.84 100.92 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.777 -0.725 . . . . 74.340000000000003 112.476 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.5 p -170.7 122.66 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 63.329999999999998 110.813 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -165.84 136.03 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 72.420000000000002 110.904 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -32.09 10.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 75.049999999999997 110.908 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.84 94.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 73.129999999999995 112.469 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.34 27.21 4.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.737 0.303 . . . . 53.130000000000003 111.097 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.1 pt -63.0 -25.35 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 70.219999999999999 111.15 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -119.59 -31.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 72.530000000000001 111.16 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.24 112.17 3.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.725 . . . . 61.130000000000003 112.511 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -74.14 -46.85 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 74.510000000000005 110.944 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 mmt -127.87 146.8 50.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 110.865 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 38' ' ' GLY . 21.9 t -98.31 139.25 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 73.099999999999994 111.119 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.89 -38.04 59.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 74.519999999999996 112.49 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.451 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -61.33 -21.17 59.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 34.340000000000003 112.532 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 23' ' ' ASP . 89.7 t -94.54 -39.41 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 65.409999999999997 111.101 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.519999999999996 111.11 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.811 0.338 . . . . 72.439999999999998 110.883 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.17 155.53 16.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 61.399999999999999 111.082 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -106.5 106.72 17.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -93.74 17.58 11.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 63.210000000000001 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.07 129.81 26.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 54.009999999999998 110.876 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -118.21 169.16 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.430000000000007 110.879 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.33 -28.59 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 64.450000000000003 110.878 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 p -57.49 135.58 56.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 64.109999999999999 110.842 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.48 99.6 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 74.230000000000004 112.483 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.788 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -104.5 171.64 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 72.310000000000002 110.91 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.21 -11.01 59.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 73.200000000000003 110.884 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.788 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.52 113.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 73.040000000000006 111.113 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -68.71 -22.42 64.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.150000000000006 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -58.37 -24.97 61.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 71.230000000000004 110.826 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.0 pt20 -75.66 -6.28 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 45.119999999999997 110.865 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -25.01 6.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 73.430000000000007 110.874 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -20.71 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 54.32 110.947 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.58 -20.71 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 73.040000000000006 111.138 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.59 -30.04 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.42 -29.81 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 62.109999999999999 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -93.42 -25.06 17.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 54.219999999999999 111.112 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -77.43 -26.3 51.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 64.209999999999994 110.89 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -101.58 36.41 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 74.530000000000001 110.902 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -78.9 -27.54 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 73.349999999999994 111.097 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.31 139.12 14.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 62.219999999999999 112.456 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -96.11 146.56 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 75.129999999999995 110.832 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -99.02 -178.8 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 70.439999999999998 110.885 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -105.85 -51.05 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.209999999999994 110.908 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.1 -56.27 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 61.530000000000001 112.481 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.45 36.86 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 60.350000000000001 111.076 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.7 pt -56.1 -26.87 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 65.420000000000002 111.079 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.05 -34.39 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 73.319999999999993 111.133 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.21 98.49 2.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 44.130000000000003 112.478 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -60.76 -45.12 95.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 52.420000000000002 110.898 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.33 151.77 51.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 110.882 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.634 HG23 HG22 ' A' ' 39' ' ' VAL . 35.1 m -140.87 150.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.200000000000003 111.129 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.81 -19.86 42.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 63.020000000000003 112.484 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.8 -21.16 43.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 34.329999999999998 112.5 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.634 HG22 HG23 ' A' ' 36' ' ' VAL . 32.3 m -101.62 -26.02 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 71.510000000000005 111.116 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.441 HG23 HG23 ' A' ' 39' ' ' VAL . 48.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.349999999999994 111.118 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.784 0.326 . . . . 74.239999999999995 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.36 165.45 35.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 111.097 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -90.57 142.11 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 71.400000000000006 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -103.94 17.96 23.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 55.149999999999999 110.845 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -80.03 114.52 19.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.310000000000002 110.866 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -121.81 -178.03 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 63.240000000000002 110.897 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -75.34 -67.1 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 63.509999999999998 110.861 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.8 t -161.18 141.42 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.88 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.38 -99.22 2.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 62.329999999999998 112.478 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.792 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -159.01 171.61 19.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.902 0.382 . . . . 74.310000000000002 110.906 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.19 -11.13 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 63.299999999999997 110.882 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.6 p -51.37 113.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 71.430000000000007 111.114 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -66.12 -23.14 66.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 63.119999999999997 110.871 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -58.36 -24.96 61.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 51.43 110.866 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.559 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.1 pt20 -75.68 -6.27 49.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.319999999999993 110.951 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -51.74 -24.98 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 72.430000000000007 110.897 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.71 24.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 74.450000000000003 110.875 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.67 -20.62 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 65.140000000000001 111.149 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.68 -30.03 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 71.549999999999997 110.815 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.83 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 54.310000000000002 110.845 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -89.69 -28.33 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 72.129999999999995 111.116 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -76.08 -26.34 56.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 75.430000000000007 110.866 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -105.0 38.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 75.140000000000001 110.896 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.4 m -78.06 -29.78 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.540000000000006 111.166 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.58 115.32 5.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 61.310000000000002 112.454 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 t -106.43 157.43 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 61.409999999999997 110.877 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -122.31 152.86 39.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 70.019999999999996 110.888 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -53.69 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 72.439999999999998 110.883 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.99 -25.68 4.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 64.329999999999998 112.502 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.8 44.72 13.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 74.519999999999996 111.084 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.0 pt -54.74 -27.7 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 73.010000000000005 111.114 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.1 mt -79.31 -41.36 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 75.310000000000002 111.101 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.28 98.81 1.06 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 75.310000000000002 112.492 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.48 -48.38 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 73.239999999999995 110.945 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mtp -111.56 132.93 54.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.329999999999998 110.852 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.749 HG12 ' H ' ' A' ' 38' ' ' GLY . 21.9 t -124.69 134.18 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 73.299999999999997 111.136 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.49 -20.13 63.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 72.519999999999996 112.448 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.749 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -64.69 -21.14 66.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 72.25 112.484 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 m -114.11 -38.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 72.230000000000004 111.101 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 36' ' ' VAL . 11.9 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 64.209999999999994 111.132 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 73.239999999999995 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.02 176.31 5.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.209999999999994 111.074 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -90.91 140.52 29.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -93.86 -22.65 18.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 54.409999999999997 110.883 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -70.13 84.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.310000000000002 110.864 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -115.05 -43.34 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 110.876 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -129.96 141.03 50.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 72.219999999999999 110.865 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.63 127.22 32.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 73.099999999999994 110.862 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.08 -75.61 1.0 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 53.539999999999999 112.443 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.748 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -166.39 171.64 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 74.230000000000004 110.928 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -10.75 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 64.310000000000002 110.879 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.748 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.5 113.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.109999999999999 111.109 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -63.48 -22.27 66.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 74.430000000000007 110.867 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.422 ' H ' HG22 ' A' ' 12' ' ' VAL . 8.9 t60 -61.46 -18.5 59.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 62.299999999999997 110.822 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.548 ' HB3' HG13 ' A' ' 12' ' ' VAL . 6.4 pt20 -75.34 -6.37 49.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 64.420000000000002 110.896 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -24.96 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 65.549999999999997 110.892 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -20.44 26.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 62.539999999999999 110.908 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.5 p -55.85 -20.55 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 71.120000000000005 111.166 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -49.78 -29.7 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 65.319999999999993 110.914 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.79 -29.71 20.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 72.409999999999997 110.898 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.49 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -88.16 -28.5 21.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.129999999999995 111.092 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -79.19 -20.63 47.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 71.409999999999997 110.9 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.28 32.37 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.25 110.86 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 21' ' ' ALA . 17.4 m -78.75 -25.7 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.030000000000001 111.154 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.29 123.32 7.67 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 71.430000000000007 112.448 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.8 m -96.5 153.72 17.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.894 0.378 . . . . 75.340000000000003 110.849 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -106.7 175.91 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 65.219999999999999 110.9 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -109.39 -27.93 9.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.879 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.85 -53.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 74.319999999999993 112.512 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.73 38.19 29.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 65.319999999999993 111.042 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.5 pt -61.05 -25.91 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 72.430000000000007 111.166 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.8 mt -76.38 -33.65 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 73.340000000000003 111.152 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.66 109.39 3.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 65.510000000000005 112.526 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.42 -40.74 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 60.229999999999997 110.919 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mmt -133.68 155.13 50.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.120000000000005 110.864 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.723 HG12 ' H ' ' A' ' 38' ' ' GLY . 24.6 t -133.05 141.12 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.109999999999999 111.133 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.84 -21.47 61.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 52.049999999999997 112.466 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.723 ' H ' HG12 ' A' ' 36' ' ' VAL . . . -78.15 -28.48 56.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.727 -0.749 . . . . 75.450000000000003 112.471 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.1 t -91.69 -37.09 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 65.430000000000007 111.106 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 64.129999999999995 111.113 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.827 0.346 . . . . 73.530000000000001 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.35 174.08 11.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 51.340000000000003 111.106 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -123.76 149.25 45.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 72.530000000000001 110.898 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -111.69 -28.5 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 54.240000000000002 110.852 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.62 154.73 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.030000000000001 110.851 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -90.6 -55.99 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.239999999999995 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -157.64 151.14 23.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.510000000000005 110.871 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 p -171.22 146.56 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 72.0 110.883 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.11 46.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.707 -0.758 . . . . 73.25 112.462 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.777 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -107.8 171.04 7.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.84 0.352 . . . . 72.129999999999995 110.912 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -79.3 -21.15 46.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 73.25 110.883 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.777 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.4 p -51.11 114.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 74.209999999999994 111.1 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -80.36 -22.29 41.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 73.129999999999995 110.89 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -58.34 -25.42 61.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 72.239999999999995 110.914 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.557 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.3 pt20 -75.72 -6.35 50.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 53.119999999999997 110.929 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -51.63 -25.03 6.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.019999999999996 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -20.74 24.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 62.200000000000003 110.907 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.55 -20.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 73.340000000000003 111.089 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.58 -30.1 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 75.010000000000005 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.45 -29.75 17.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 75.140000000000001 110.916 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -94.31 -24.61 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 60.520000000000003 111.084 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -77.69 -26.09 49.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 110.85 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -101.24 36.33 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 72.430000000000007 110.89 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -79.03 -25.66 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.239999999999995 111.179 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.9 165.61 19.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 53.210000000000001 112.494 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t -93.02 131.87 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 75.319999999999993 110.859 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -106.73 -68.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 65.530000000000001 110.883 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 62.24 17.77 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 71.099999999999994 110.903 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.12 37.15 2.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 55.229999999999997 112.443 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.96 29.49 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 73.530000000000001 111.091 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.3 pt -63.94 -26.89 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 111.143 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.0 mp -67.8 -28.2 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.439999999999998 111.171 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.55 119.52 6.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 52.340000000000003 112.456 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tp -52.71 -36.65 57.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 65.019999999999996 110.877 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.3 146.71 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.049999999999997 110.904 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 39' ' ' VAL . 20.8 m -100.61 164.17 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 74.549999999999997 111.132 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.99 -19.79 46.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 73.140000000000001 112.517 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.94 -41.48 82.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 62.310000000000002 112.483 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG23 HG22 ' A' ' 40' ' ' VAL . 19.8 m -81.18 -25.36 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.376 . . . . 72.209999999999994 111.157 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.441 HG22 HG23 ' A' ' 39' ' ' VAL . 11.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.319999999999993 111.156 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.835 0.35 . . . . 70.420000000000002 110.864 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.78 165.5 28.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.409999999999997 111.108 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -91.71 135.09 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 73.120000000000005 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -105.92 -32.35 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 65.319999999999993 110.876 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 mtm-85 -61.41 114.36 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 53.450000000000003 110.899 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -90.02 -46.74 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 65.450000000000003 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.3 -74.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 61.200000000000003 110.892 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t 51.67 51.87 15.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 70.209999999999994 110.877 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.34 37.98 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 72.019999999999996 112.484 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.772 ' HB3' HG12 ' A' ' 12' ' ' VAL . 4.8 t80 -125.98 170.95 11.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 65.319999999999993 110.91 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.33 -20.99 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 74.519999999999996 110.927 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.772 HG12 ' HB3' ' A' ' 10' ' ' TYR . 5.5 p -51.23 114.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 71.510000000000005 111.098 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -82.48 -20.75 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.540000000000006 110.853 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -60.4 -23.37 64.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 72.319999999999993 110.842 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.561 ' O ' HG12 ' A' ' 18' ' ' VAL . 6.8 pt20 -75.46 -6.38 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 110.942 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -24.92 6.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 63.350000000000001 110.913 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -20.72 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 75.040000000000006 110.92 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.3 p -55.59 -20.67 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 72.450000000000003 111.176 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.61 -30.05 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.150000000000006 110.913 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.48 -29.77 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.540000000000006 110.849 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.73 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -94.3 -24.36 17.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 44.5 111.086 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -79.27 -11.22 59.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 72.209999999999994 110.826 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.83 29.08 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.864 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 21' ' ' ALA . 5.9 m -57.4 -28.68 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 63.43 111.132 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.93 156.45 22.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 70.129999999999995 112.495 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -105.08 147.62 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 72.109999999999999 110.861 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -89.82 100.85 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.340000000000003 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -83.57 -55.21 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 110.893 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.08 94.0 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 62.200000000000003 112.467 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.32 42.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.714 0.293 . . . . 51.229999999999997 111.071 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.4 pt -63.77 -26.34 40.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 64.540000000000006 111.146 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -78.53 -26.91 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.439999999999998 111.145 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.82 107.43 3.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 63.229999999999997 112.456 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 34' ' ' LEU . 4.8 tt -71.56 -38.53 70.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 71.540000000000006 110.956 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.7 ptp -138.75 152.69 48.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 75.439999999999998 110.874 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 40' ' ' VAL . 34.4 m -134.41 156.82 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.349999999999994 111.135 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.23 -19.8 58.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 71.010000000000005 112.497 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.49 -21.77 49.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 73.129999999999995 112.478 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.532 HG22 HG23 ' A' ' 36' ' ' VAL . 27.4 m -106.18 -27.48 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 64.239999999999995 111.123 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 36' ' ' VAL . 8.5 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 64.129999999999995 111.125 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.787 0.327 . . . . 73.530000000000001 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.87 151.94 22.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 73.109999999999999 111.104 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.71 127.24 33.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 61.200000000000003 110.873 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -80.54 -30.1 37.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 72.209999999999994 110.879 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -90.91 160.04 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 110.878 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -85.27 143.25 28.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 62.130000000000003 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -55.96 -26.4 47.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 73.129999999999995 110.928 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -56.53 152.99 10.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 75.040000000000006 110.855 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.87 81.09 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 54.329999999999998 112.489 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.789 ' HB3' HG12 ' A' ' 12' ' ' VAL . 5.1 t80 -100.55 171.62 7.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 73.319999999999993 110.924 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.27 -11.05 59.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 110.866 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.789 HG12 ' HB3' ' A' ' 10' ' ' TYR . 4.5 p -51.42 113.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.010000000000005 111.127 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -74.08 -21.68 59.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 75.219999999999999 110.851 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -58.3 -25.46 61.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 73.099999999999994 110.877 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.555 ' O ' HG12 ' A' ' 18' ' ' VAL . 4.3 pt20 -75.74 -6.28 49.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 62.539999999999999 110.855 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -51.65 -25.05 6.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 65.099999999999994 110.903 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.68 24.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 44.100000000000001 110.928 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 15' ' ' GLN . 7.2 p -55.6 -20.68 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 54.100000000000001 111.101 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -49.66 -29.99 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.019999999999996 110.875 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -51.44 -29.81 17.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 73.120000000000005 110.87 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -95.46 -25.08 16.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 52.219999999999999 111.127 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -76.44 -26.27 55.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 110.914 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -103.55 36.44 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 62.530000000000001 110.937 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 21' ' ' ALA . 18.3 m -77.68 -26.17 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 71.519999999999996 111.101 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.22 165.33 31.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 32.43 112.486 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -93.21 125.25 37.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 71.150000000000006 110.836 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -107.35 -73.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 71.519999999999996 110.9 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt 62.67 19.36 11.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 65.109999999999999 110.887 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.39 -111.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 74.209999999999994 112.491 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.06 37.0 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 44.439999999999998 111.1 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.4 pt -57.59 -27.25 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 64.439999999999998 111.166 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mm -77.9 -39.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 71.219999999999999 111.134 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.6 128.06 8.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 50.210000000000001 112.504 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 tt -63.56 -41.24 98.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 72.209999999999994 110.917 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 ptp -147.35 151.35 36.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 64.349999999999994 110.881 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.443 HG23 HG23 ' A' ' 39' ' ' VAL . 31.3 m -123.97 142.4 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.109999999999999 111.095 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.85 -20.58 57.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 72.049999999999997 112.47 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.45 -20.94 53.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 62.32 112.466 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.443 HG23 HG23 ' A' ' 36' ' ' VAL . 48.2 t -91.63 -43.51 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.814 0.34 . . . . 54.219999999999999 111.098 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 71.409999999999997 111.14 179.946 . . . . . . . . 0 0 . 1 stop_ save_