data_2kjm_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 2kjm _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 ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.873 0.368 . . . . 71.530000000000001 110.843 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.53 -45.97 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 73.230000000000004 111.099 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.4 tp -76.17 -24.31 54.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 74.010000000000005 110.915 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.6 mmt -71.86 -16.07 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.873 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -57.5 -26.13 60.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 74.519999999999996 110.87 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -87.24 -41.17 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -73.03 -18.19 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.430000000000007 110.884 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -25.57 56.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.907 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -57.85 -63.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 72.129999999999995 110.909 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -46.79 -41.23 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 74.409999999999997 111.13 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.68 115.87 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 65.439999999999998 110.872 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -97.85 -2.73 40.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.899 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.08 17.7 0.62 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 74.019999999999996 112.468 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -114.67 107.74 15.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 75.540000000000006 110.867 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -70.73 88.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 74.109999999999999 110.881 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.5 p -71.5 -19.15 62.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 74.349999999999994 111.095 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.96 -26.73 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 72.420000000000002 111.131 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.73 -11.81 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 62.43 111.077 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.91 -15.61 63.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 75.219999999999999 110.887 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -30.61 71.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 72.109999999999999 110.872 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 ttp85 -66.91 -27.03 67.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.519999999999996 110.892 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.35 -54.31 38.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 71.209999999999994 110.918 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.9 tp -73.69 -23.84 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 75.129999999999995 111.141 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -64.1 -15.66 60.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 64.239999999999995 110.93 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -83.3 -15.41 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.120000000000005 110.908 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 74.230000000000004 111.138 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.946 0.403 . . . . 73.420000000000002 110.87 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.12 -45.12 95.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 64.319999999999993 111.092 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.64 -23.3 53.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 64.510000000000005 110.931 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.4 mmt -72.49 -16.49 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.439999999999998 110.886 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -58.01 -26.73 62.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 75.25 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -87.73 -41.15 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.439999999999998 110.875 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -72.74 -17.84 61.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 75.239999999999995 110.875 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -26.11 55.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 71.239999999999995 110.892 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -59.02 -64.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 74.230000000000004 110.88 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.2 mt -47.11 -41.54 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 74.450000000000003 111.115 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -79.73 116.07 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 62.130000000000003 110.926 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -96.94 -2.73 43.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 72.230000000000004 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.83 18.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 64.200000000000003 112.497 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.42 101.91 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 75.310000000000002 110.887 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -70.74 84.5 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.5 110.857 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 p -71.47 -18.76 62.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.340000000000003 111.12 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 pt -55.85 -26.34 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 74.540000000000006 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.34 -11.84 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 61.240000000000002 111.1 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -66.62 -16.27 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 71.420000000000002 110.916 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -63.46 -26.01 68.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 71.200000000000003 110.886 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -67.81 -26.33 66.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 71.129999999999995 110.888 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.96 -52.37 50.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.319999999999993 110.94 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.8 tp -72.06 -22.67 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 75.140000000000001 111.134 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -58.77 -21.26 55.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 73.439999999999998 110.885 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -75.05 -15.42 60.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 73.409999999999997 110.914 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 73.450000000000003 111.1 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.902 0.382 . . . . 71.349999999999994 110.825 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.19 -46.99 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 74.400000000000006 111.161 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 tp -76.97 -23.91 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 71.239999999999995 110.961 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 mmt -70.5 -16.84 62.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 64.310000000000002 110.899 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -57.6 -27.24 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.109999999999999 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -88.64 -39.44 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 75.150000000000006 110.89 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -71.41 -18.33 62.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.209999999999994 110.874 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -29.66 62.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.530000000000001 110.909 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -69.37 -64.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.109999999999999 110.907 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mm -47.04 -43.31 6.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 73.439999999999998 111.141 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.99 113.06 20.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.927 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -100.74 -2.92 31.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 75.030000000000001 110.879 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.11 -87.18 1.09 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 70.310000000000002 112.527 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -102.82 135.23 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 75.540000000000006 110.859 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -70.73 121.18 17.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 73.099999999999994 110.88 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 p -71.35 -15.96 62.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 73.150000000000006 111.132 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 pt -53.9 -23.28 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.109999999999999 111.138 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.45 -12.1 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.540000000000006 111.105 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.75 -14.66 59.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 72.430000000000007 110.935 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -60.82 -22.16 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 73.319999999999993 110.884 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -72.27 -27.34 62.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 74.340000000000003 110.901 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -53.19 -58.44 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.936 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 tp -73.4 -23.42 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 72.129999999999995 111.143 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -64.87 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 71.140000000000001 110.886 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -83.21 -25.48 31.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.420000000000002 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 62.140000000000001 111.131 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.87 0.367 . . . . 73.319999999999993 110.861 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.9 -46.14 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 73.140000000000001 111.176 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -24.58 54.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.885 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -72.49 -15.68 61.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 110.859 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -57.26 -25.41 59.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 74.409999999999997 110.868 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -87.04 -40.66 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 73.409999999999997 110.848 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -72.65 -18.57 61.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.049999999999997 110.96 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -25.67 59.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.84 -63.08 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.7 mp -46.16 -41.11 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.019999999999996 111.141 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -81.26 115.54 20.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.219999999999999 110.856 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -97.35 -2.76 41.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 72.109999999999999 110.958 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.09 17.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 65.109999999999999 112.513 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 118.56 34.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 63.310000000000002 110.915 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -70.59 87.86 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.099999999999994 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.5 p -71.36 -29.64 65.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 111.162 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.8 pt -56.56 -23.98 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.150000000000006 111.162 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -12.22 3.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 64.400000000000006 111.062 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.64 -15.99 63.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 74.409999999999997 110.91 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -63.67 -21.09 66.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 74.209999999999994 110.857 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -66.24 -25.6 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 73.040000000000006 110.873 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.89 -59.88 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 73.209999999999994 110.919 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.7 mt -73.73 -23.56 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 71.129999999999995 111.156 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -57.79 -23.19 51.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 110.881 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -85.12 -25.76 27.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 75.219999999999999 110.889 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 54.229999999999997 111.126 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.91 0.386 . . . . 72.420000000000002 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.2 t -77.18 -39.43 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 72.519999999999996 111.144 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.59 -17.06 62.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.219999999999999 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -20.63 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 64.299999999999997 110.873 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -60.46 -29.86 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 74.420000000000002 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -91.86 -38.24 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 70.129999999999995 110.86 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.77 -14.22 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 75.109999999999999 110.903 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -52.43 -35.92 53.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 70.340000000000003 110.867 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.8 -66.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 73.129999999999995 110.942 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mt -49.1 -42.73 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 73.120000000000005 111.162 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -83.08 115.64 21.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 74.219999999999999 110.908 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -99.21 -2.77 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.420000000000002 110.924 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.99 32.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 51.210000000000001 112.447 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -114.03 105.98 13.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 64.340000000000003 110.936 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -71.56 77.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 64.040000000000006 110.875 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.83 -17.91 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 75.319999999999993 111.122 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -55.17 -27.33 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.230000000000004 111.169 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.0 -17.15 15.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.230000000000004 111.109 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -69.43 -16.99 63.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.938 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -65.72 -29.4 69.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 61.140000000000001 110.872 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -73.43 -28.59 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 75.400000000000006 110.902 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.91 -49.82 65.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 72.549999999999997 110.885 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.2 mt -72.83 -20.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 74.319999999999993 111.108 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -57.77 -22.76 48.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.329999999999998 110.89 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -84.89 -26.55 27.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 74.329999999999998 110.825 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.519999999999996 111.173 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 71.349999999999994 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.07 -40.71 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 75.129999999999995 111.138 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -72.82 -17.33 61.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 70.439999999999998 110.896 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -57.43 -20.39 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.219999999999999 110.891 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -60.27 -29.97 69.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.834 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -91.31 -38.61 12.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.846 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -70.13 -15.34 62.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 61.020000000000003 110.891 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -55.66 -33.8 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.310000000000002 110.928 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -71.03 -69.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.230000000000004 110.896 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 pp -49.31 -41.41 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 75.239999999999995 111.161 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -82.92 115.17 21.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 75.420000000000002 110.853 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -99.04 -2.93 35.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.310000000000002 110.917 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.52 31.6 0.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 72.439999999999998 112.494 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.79 103.25 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 72.519999999999996 110.882 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -72.45 72.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 74.329999999999998 110.909 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -17.75 62.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 74.319999999999993 111.157 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.4 mt -55.16 -26.39 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 73.019999999999996 111.127 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.7 -16.94 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.439999999999998 111.057 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -69.3 -16.8 63.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 110.905 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.92 -28.86 64.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 72.450000000000003 110.907 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -71.77 -31.02 66.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 73.409999999999997 110.856 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -52.74 -50.42 63.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.936 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.6 tt -70.6 -23.47 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 72.420000000000002 111.11 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -61.26 -22.77 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.824 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -76.97 -25.39 52.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 64.010000000000005 110.906 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 64.430000000000007 111.125 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.892 0.377 . . . . 72.129999999999995 110.823 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.59 -46.45 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.5 111.105 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.62 -24.18 53.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 110.944 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.0 mmt -70.67 -16.71 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 75.040000000000006 110.849 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -57.64 -26.39 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.869 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -87.49 -39.71 14.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -71.7 -17.08 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -55.52 -26.38 42.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.909 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.66 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.150000000000006 110.943 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mp -47.47 -42.45 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 111.13 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -82.67 115.36 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 64.200000000000003 110.908 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -97.57 -2.67 41.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 75.010000000000005 110.906 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.59 16.35 0.96 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 63.340000000000003 112.465 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -113.96 100.35 8.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.801 0.334 . . . . 74.400000000000006 110.878 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -71.03 81.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 62.509999999999998 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 p -71.44 -19.36 62.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.169 -0.469 . . . . 74.120000000000005 111.163 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.1 pt -56.29 -25.79 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 61.200000000000003 111.168 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -13.0 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.230000000000004 111.076 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -67.09 -16.26 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.310000000000002 110.969 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.35 -26.06 68.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 74.450000000000003 110.91 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -70.68 -27.26 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 72.310000000000002 110.858 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -51.99 -59.77 3.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.5 110.915 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.96 -17.53 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 71.109999999999999 111.102 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -19.06 60.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 75.409999999999997 110.864 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -73.58 -17.17 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 71.340000000000003 110.91 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 73.219999999999999 111.173 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.883 0.373 . . . . 71.540000000000006 110.856 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.8 t -77.34 -40.11 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 111.141 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.8 tp -72.11 -16.44 62.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.938 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -18.86 22.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.219999999999999 110.878 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -28.18 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 74.430000000000007 110.891 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -91.14 -38.5 12.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.299999999999997 110.836 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -15.0 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 74.319999999999993 110.915 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -53.8 -38.23 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 64.230000000000004 110.87 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -70.68 -66.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 74.120000000000005 110.901 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.4 mt -48.6 -43.42 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.510000000000005 111.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -83.64 115.48 22.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 70.120000000000005 110.927 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -98.27 -2.68 38.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.120000000000005 110.938 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.05 26.93 0.25 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 61.049999999999997 112.523 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -113.67 99.72 7.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.805 0.336 . . . . 75.519999999999996 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -71.09 80.84 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 74.409999999999997 110.899 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -18.72 62.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.140000000000001 111.111 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.2 -26.5 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -18.67 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.430000000000007 111.13 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.47 -16.66 63.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 75.420000000000002 110.928 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.73 -31.17 72.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 75.519999999999996 110.845 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 ttt-85 -76.12 -29.16 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 75.329999999999998 110.865 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -53.19 -56.45 16.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.922 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 tt -67.23 -22.55 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 73.420000000000002 111.152 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -69.29 -21.14 63.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 70.340000000000003 110.869 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -83.82 -26.0 29.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 63.25 110.888 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.150000000000006 111.137 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.891 0.377 . . . . 71.140000000000001 110.835 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.3 t -78.71 -39.64 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.230000000000004 111.09 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.38 -16.35 63.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 73.010000000000005 110.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -21.31 22.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 75.319999999999993 110.9 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -61.16 -31.05 70.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.87 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.7 mtt-85 -92.76 -39.03 11.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 75.510000000000005 110.858 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -70.61 -14.54 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.310000000000002 110.926 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -36.51 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.420000000000002 110.917 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -71.05 -67.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 70.040000000000006 110.868 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mt -49.08 -43.57 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 70.310000000000002 111.151 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -83.65 115.54 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.040000000000006 110.856 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -98.47 -2.72 38.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.929 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.06 29.04 0.28 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 61.229999999999997 112.519 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.69 96.67 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 74.230000000000004 110.941 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -71.35 79.32 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 71.239999999999995 110.918 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -17.86 62.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 72.329999999999998 111.15 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.3 mt -54.8 -26.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 74.129999999999995 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.47 -18.78 20.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 71.109999999999999 111.094 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -17.08 62.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.914 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -64.86 -29.14 70.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 64.120000000000005 110.877 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -72.89 -28.43 62.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 71.439999999999998 110.862 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -53.0 -55.58 22.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.0 mt -68.22 -22.65 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 62.229999999999997 111.105 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -23.29 51.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 73.430000000000007 110.881 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -85.16 -25.84 27.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 110.927 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 73.439999999999998 111.13 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.861 0.362 . . . . 74.510000000000005 110.834 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.03 -46.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 74.230000000000004 111.129 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -24.53 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.049999999999997 110.907 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.4 mmt -72.79 -14.81 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 73.010000000000005 110.903 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -56.03 -25.78 46.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.868 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -86.82 -37.12 18.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.209999999999994 110.928 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -71.34 -18.01 62.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 64.150000000000006 110.952 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -57.34 -28.29 63.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 73.040000000000006 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -69.86 -66.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.915 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 tt -47.93 -42.62 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 111.191 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -84.06 113.55 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 74.510000000000005 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -99.93 -2.74 33.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.329999999999998 110.964 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.14 -96.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 64.120000000000005 112.511 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -102.98 152.67 21.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 73.200000000000003 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -70.46 120.76 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -71.78 -16.93 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.030000000000001 111.119 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.4 pt -54.38 -23.23 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.109999999999999 111.128 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.95 -12.01 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 75.400000000000006 111.072 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -15.09 62.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.510000000000005 110.927 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -61.62 -26.17 67.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 75.409999999999997 110.911 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -68.64 -26.49 65.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.510000000000005 110.891 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.06 -55.09 22.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 71.099999999999994 110.897 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.9 pt -72.41 -23.47 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 75.439999999999998 111.104 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -61.12 -22.69 64.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.209999999999994 110.896 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -77.62 -25.45 49.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 71.340000000000003 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 74.120000000000005 111.176 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.929 0.395 . . . . 74.219999999999999 110.911 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.37 -40.34 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 73.450000000000003 111.127 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.9 tp -73.45 -16.51 61.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.219999999999999 110.896 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -18.54 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.450000000000003 110.876 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -27.58 55.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 75.439999999999998 110.866 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -38.04 13.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 110.854 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -15.35 63.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 73.129999999999995 110.93 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -53.73 -38.49 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 74.140000000000001 110.881 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -70.43 -66.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 74.040000000000006 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mt -48.34 -43.15 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 72.450000000000003 111.138 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -83.49 114.98 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 72.439999999999998 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -98.89 -2.94 36.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.519999999999996 110.915 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.18 28.17 0.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 72.099999999999994 112.489 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -113.69 108.13 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 63.539999999999999 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -71.8 76.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 71.319999999999993 110.921 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.6 m -71.73 -21.46 61.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 64.010000000000005 111.156 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.7 mt -55.92 -24.55 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.519999999999996 111.184 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.19 -15.38 9.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 75.329999999999998 111.035 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -68.32 -16.54 63.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 62.130000000000003 110.93 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.04 -31.01 72.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 73.400000000000006 110.899 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -76.1 -27.01 56.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 110.895 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -52.67 -53.02 53.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 110.924 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.8 tp -70.52 -23.51 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.140000000000001 111.127 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -63.27 -22.71 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 75.239999999999995 110.883 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -78.54 -25.46 45.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 74.530000000000001 110.87 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 73.510000000000005 111.144 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.912 0.387 . . . . 74.329999999999998 110.905 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.33 -47.0 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 70.239999999999995 111.078 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 tp -78.79 -20.63 49.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 72.230000000000004 110.91 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -14.99 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 110.836 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -25.21 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 73.140000000000001 110.849 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -86.91 -38.04 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.019999999999996 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -70.13 -17.65 63.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.879 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -26.55 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.933 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -68.52 -66.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.230000000000004 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.2 pt -47.84 -41.08 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 111.157 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -82.79 114.59 21.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 75.549999999999997 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -99.76 -3.64 32.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 74.140000000000001 110.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.62 16.5 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 62.119999999999997 112.491 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -114.77 119.26 36.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 74.510000000000005 110.901 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -70.22 96.87 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 72.209999999999994 110.904 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 p -71.51 -30.01 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 111.16 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.9 mt -56.98 -26.5 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 73.299999999999997 111.089 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.62 -13.02 11.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 70.450000000000003 111.065 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -68.18 -16.4 63.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 74.239999999999995 110.932 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -62.6 -28.94 70.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 75.239999999999995 110.841 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -70.35 -27.63 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 110.853 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.87 -52.55 57.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 74.319999999999993 110.925 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.8 tp -69.65 -22.69 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 73.109999999999999 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -58.89 -21.05 56.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 75.010000000000005 110.872 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.42 -15.31 60.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 75.030000000000001 110.897 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.329999999999998 111.068 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.929 0.395 . . . . 61.219999999999999 110.882 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -77.3 -39.38 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 65.329999999999998 111.165 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -15.24 63.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.230000000000004 110.917 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -55.05 -22.17 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.519999999999996 110.848 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -61.71 -32.33 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 71.230000000000004 110.887 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -93.78 -38.77 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.883 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -14.66 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 72.400000000000006 110.914 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -53.17 -38.85 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 110.921 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -71.2 -66.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 74.120000000000005 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.5 mt -48.22 -43.12 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 74.200000000000003 111.102 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -83.26 115.1 21.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 65.519999999999996 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -99.14 -2.8 36.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 72.109999999999999 110.922 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.87 31.42 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 73.120000000000005 112.493 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -113.71 103.38 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 74.140000000000001 110.922 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -72.77 70.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 54.43 110.926 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 t -71.71 -17.76 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 111.133 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.4 pt -55.35 -25.86 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.143 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 -15.56 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.530000000000001 111.06 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -68.63 -16.79 63.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 73.5 110.937 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -62.75 -31.48 72.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 63.119999999999997 110.889 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -76.87 -26.74 54.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 74.540000000000006 110.878 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -53.19 -58.97 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.329999999999998 110.959 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.9 tt -65.45 -23.39 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 71.209999999999994 111.17 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -65.4 -22.66 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 72.519999999999996 110.873 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -80.51 -25.42 38.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.129999999999995 110.886 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 111.12 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.922 0.391 . . . . 74.349999999999994 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.3 t -76.48 -40.49 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 111.141 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.85 -14.98 62.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 75.439999999999998 110.9 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -55.94 -20.58 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 72.109999999999999 110.877 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -29.32 64.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 74.319999999999993 110.9 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -92.97 -38.6 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.140000000000001 110.871 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -69.92 -14.86 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 73.530000000000001 110.895 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -38.72 63.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 75.400000000000006 110.87 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -70.96 -66.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 72.310000000000002 110.907 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.1 mt -48.32 -43.07 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.450000000000003 111.152 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -83.15 115.12 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 75.430000000000007 110.875 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -99.06 -2.77 36.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 72.329999999999998 110.941 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.99 28.47 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 70.25 112.467 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -113.65 102.14 9.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 74.519999999999996 110.95 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -71.38 79.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 71.040000000000006 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -17.79 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.299999999999997 111.17 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.7 pt -55.04 -26.9 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 71.430000000000007 111.18 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.31 -17.74 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 72.450000000000003 111.121 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -70.29 -16.51 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.409999999999997 110.893 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -31.27 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 74.019999999999996 110.909 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -76.89 -26.95 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 110.835 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.25 -56.08 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.340000000000003 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.1 pt -64.04 -23.09 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 73.430000000000007 111.111 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -65.28 -17.11 64.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 74.319999999999993 110.928 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.71 -19.07 60.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 110.868 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 111.121 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.885 0.374 . . . . 75.430000000000007 110.866 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.4 t -65.7 -45.33 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 73.209999999999994 111.141 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.98 -20.94 57.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 110.917 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -59.75 -18.77 45.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 110.859 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.4 mmm-85 -60.21 -27.39 67.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 110.86 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -89.66 -41.74 11.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.219999999999999 110.862 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -15.68 61.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.400000000000006 110.941 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -55.22 -26.84 42.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -69.95 -66.95 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 74.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tt -48.46 -43.75 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 111.132 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -84.82 113.4 21.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 73.129999999999995 110.873 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -102.03 -3.04 28.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 71.120000000000005 110.915 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.92 26.06 1.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 72.140000000000001 112.513 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -114.6 104.91 12.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.334 . . . . 75.340000000000003 110.875 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 p30 -73.4 65.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 73.310000000000002 110.902 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.81 -15.92 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 72.140000000000001 111.146 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 pp -53.76 -25.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.519999999999996 111.148 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.22 -13.59 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.209999999999994 111.06 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -67.49 -16.66 64.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 71.400000000000006 110.933 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.34 -27.41 63.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 71.319999999999993 110.866 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -72.42 -29.89 64.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 75.409999999999997 110.816 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -53.08 -54.66 32.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.109999999999999 110.916 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.3 tt -63.93 -21.9 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 74.349999999999994 111.145 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -69.23 -21.39 63.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 75.299999999999997 110.926 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -83.83 -25.91 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 72.209999999999994 110.934 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 74.540000000000006 111.172 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.916 0.389 . . . . 70.349999999999994 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.1 -44.22 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 75.049999999999997 111.137 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tt -76.16 -22.44 55.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 74.030000000000001 110.918 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -18.54 52.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 75.310000000000002 110.868 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -58.64 -28.13 65.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 75.109999999999999 110.884 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -39.59 13.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 110.888 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.53 -16.36 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.902 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -27.46 37.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.140000000000001 110.887 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -69.65 -65.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.219999999999999 110.895 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -48.14 -43.04 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.420000000000002 111.09 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -83.37 115.11 21.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 71.329999999999998 110.871 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -98.62 -2.78 37.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 75.099999999999994 110.898 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.43 26.52 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 72.329999999999998 112.499 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.69 104.87 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 72.340000000000003 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -72.13 74.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 65.329999999999998 110.866 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -71.91 -17.56 62.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 64.310000000000002 111.166 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.3 mt -54.7 -25.13 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 71.400000000000006 111.122 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -16.41 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.019999999999996 111.121 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -68.56 -16.75 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 71.519999999999996 110.97 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -70.93 -25.67 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 74.239999999999995 110.811 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -75.12 -28.49 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.420000000000002 110.86 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -53.29 -51.52 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.420000000000002 110.934 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -23.56 28.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 71.219999999999999 111.128 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -69.2 -23.09 63.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.439999999999998 110.891 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -84.47 -26.15 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 73.430000000000007 110.906 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 72.400000000000006 111.092 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.896 0.379 . . . . 75.430000000000007 110.84 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.8 t -70.82 -42.55 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 75.150000000000006 111.125 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.96 -16.97 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.219999999999999 110.933 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -19.98 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 73.540000000000006 110.864 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -59.07 -29.61 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 72.400000000000006 110.856 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -91.36 -39.09 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.530000000000001 110.89 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -70.78 -14.67 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 110.936 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -52.62 -36.23 56.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.13 -66.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.120000000000005 110.921 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -48.67 -42.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.129999999999995 111.141 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -83.35 114.96 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.450000000000003 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -99.25 -3.01 35.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 74.439999999999998 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.94 43.65 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 63.539999999999999 112.471 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.69 120.18 39.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 74.299999999999997 110.891 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -73.54 63.64 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 75.219999999999999 110.907 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -71.62 -18.99 62.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 74.129999999999995 111.159 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.1 mt -56.52 -25.47 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 111.127 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.63 -20.01 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.084 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -73.4 -16.91 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.109999999999999 110.893 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -72.94 -30.88 64.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 61.340000000000003 110.852 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -76.86 -30.71 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 72.310000000000002 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.08 -57.29 10.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 75.040000000000006 110.912 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.3 tt -64.29 -23.5 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 74.430000000000007 111.099 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -67.59 -22.75 65.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 72.430000000000007 110.915 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -83.82 -25.44 30.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 75.219999999999999 110.875 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 72.25 111.17 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.913 0.387 . . . . 73.209999999999994 110.816 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.9 t -78.7 -39.54 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 111.095 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.3 tp -68.05 -16.4 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 71.530000000000001 110.959 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -21.49 22.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 75.140000000000001 110.889 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -61.47 -31.28 71.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.030000000000001 110.842 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -93.0 -38.65 11.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 64.340000000000003 110.865 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -14.77 62.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.209999999999994 110.957 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -53.01 -36.24 60.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 65.230000000000004 110.897 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -71.15 -66.9 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 75.349999999999994 110.905 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.0 mt -49.08 -43.45 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.128 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -83.52 115.23 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 71.230000000000004 110.914 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -98.83 -2.86 36.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 75.439999999999998 110.906 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.38 27.63 0.25 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 72.099999999999994 112.481 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.67 99.19 7.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 72.530000000000001 110.866 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -71.27 79.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 73.319999999999993 110.887 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -17.54 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 111.143 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -54.64 -25.73 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 73.319999999999993 111.144 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.42 -17.89 15.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 74.299999999999997 111.119 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -69.49 -16.88 63.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 74.049999999999997 110.886 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.32 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 75.329999999999998 110.905 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -75.59 -26.01 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 74.129999999999995 110.891 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -54.87 -52.13 63.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.530000000000001 110.91 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.15 -25.45 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 73.209999999999994 111.109 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -58.99 -19.57 44.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 110.905 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -84.81 -25.28 28.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.540000000000006 110.905 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 73.310000000000002 111.153 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.368 . . . . 72.049999999999997 110.858 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.7 t -76.77 -39.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 75.430000000000007 111.083 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.2 tp -70.84 -15.26 62.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.948 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -55.73 -21.05 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 72.540000000000006 110.857 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -60.13 -30.74 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 75.329999999999998 110.873 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -94.11 -38.3 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.873 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -13.87 62.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 74.230000000000004 110.922 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -51.68 -32.46 29.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -71.22 -66.75 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 70.099999999999994 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mm -49.26 -41.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 73.120000000000005 111.135 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.473 HD21 ' N ' ' A' ' 15' ' ' ASN . 1.3 m-80 -71.45 114.0 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 70.420000000000002 110.864 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -100.31 -3.51 31.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 71.409999999999997 110.928 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.59 31.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 73.329999999999998 112.471 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -113.97 112.58 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 74.519999999999996 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -70.52 85.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 70.349999999999994 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -18.61 62.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 74.200000000000003 111.141 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.5 pt -56.13 -27.05 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.420000000000002 111.137 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -18.11 17.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.120000000000005 111.099 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -71.87 -16.16 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 73.430000000000007 110.927 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.81 -26.1 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 65.030000000000001 110.877 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -72.59 -26.78 61.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.409999999999997 110.883 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -53.37 -49.91 66.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 110.917 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.5 tt -73.6 -23.42 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 75.010000000000005 111.099 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -68.75 -22.72 64.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 62.310000000000002 110.896 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -83.83 -25.4 30.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 73.319999999999993 110.898 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 75.439999999999998 111.153 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.895 0.378 . . . . 72.510000000000005 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.79 -45.83 93.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 65.349999999999994 111.121 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 tp -77.31 -20.07 55.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.895 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.4 mmt -60.78 -15.56 31.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 75.209999999999994 110.899 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -25.59 23.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 75.299999999999997 110.855 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -37.72 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.855 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -69.58 -16.49 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 72.109999999999999 110.876 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -55.44 -34.31 64.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.099999999999994 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.7 -65.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.040000000000006 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.2 tt -47.77 -42.36 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 73.409999999999997 111.13 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -83.49 114.72 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.530000000000001 110.903 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.86 -2.99 36.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.150000000000006 110.964 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.07 22.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 70.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.55 109.84 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 75.140000000000001 110.915 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -70.37 84.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 73.209999999999994 110.901 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -71.24 -18.87 62.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 72.340000000000003 111.114 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pp -55.69 -25.46 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.109999999999999 111.124 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.16 -17.58 11.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 111.138 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.59 -16.66 63.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.961 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.45 -25.73 62.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 62.229999999999997 110.895 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.54 -29.16 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.450000000000003 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -53.28 -58.47 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 64.040000000000006 110.905 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tt -64.46 -22.63 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 74.450000000000003 111.127 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -66.37 -22.7 66.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.865 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.79 -25.36 30.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.918 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 72.109999999999999 111.098 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.888 0.375 . . . . 74.25 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p -148.63 -179.53 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 73.310000000000002 111.145 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.56 93.28 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.595 ' O ' ' N ' ' A' ' 7' ' ' LEU . 13.6 mm-40 -74.25 -74.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 73.430000000000007 110.891 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -30.74 -40.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 71.530000000000001 110.843 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 4' ' ' GLU . 85.4 t -64.53 -45.97 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 73.230000000000004 111.099 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.595 ' N ' ' O ' ' A' ' 4' ' ' GLU . 50.4 tp -76.17 -24.31 54.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 74.010000000000005 110.915 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.6 mmt -71.86 -16.07 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.873 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -57.5 -26.13 60.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 74.519999999999996 110.87 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -87.24 -41.17 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -73.03 -18.19 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.430000000000007 110.884 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -25.57 56.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.907 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -57.85 -63.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 72.129999999999995 110.909 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -46.79 -41.23 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 74.409999999999997 111.13 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.68 115.87 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 65.439999999999998 110.872 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -97.85 -2.73 40.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.899 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.08 17.7 0.62 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 74.019999999999996 112.468 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -114.67 107.74 15.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 75.540000000000006 110.867 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -70.73 88.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 74.109999999999999 110.881 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.5 p -71.5 -19.15 62.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 74.349999999999994 111.095 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.96 -26.73 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 72.420000000000002 111.131 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.73 -11.81 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 62.43 111.077 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.91 -15.61 63.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 75.219999999999999 110.887 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -30.61 71.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 72.109999999999999 110.872 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 ttp85 -66.91 -27.03 67.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.519999999999996 110.892 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.35 -54.31 38.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 71.209999999999994 110.918 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.9 tp -73.69 -23.84 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 75.129999999999995 111.141 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -64.1 -15.66 60.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 64.239999999999995 110.93 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -83.3 -15.41 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.120000000000005 110.908 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 74.230000000000004 111.138 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.897 0.38 . . . . 74.329999999999998 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -58.52 170.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 74.25 111.171 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.65 120.93 5.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 74.120000000000005 110.836 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.595 ' O ' ' N ' ' A' ' 7' ' ' LEU . 79.8 mm-40 -126.81 -75.03 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 75.299999999999997 110.85 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.8 -40.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 73.420000000000002 110.87 -179.776 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 4' ' ' GLU . 7.4 p -65.12 -45.12 95.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 64.319999999999993 111.092 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.595 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -76.64 -23.3 53.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 64.510000000000005 110.931 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.4 mmt -72.49 -16.49 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.439999999999998 110.886 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -58.01 -26.73 62.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 75.25 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -87.73 -41.15 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.439999999999998 110.875 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -72.74 -17.84 61.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 75.239999999999995 110.875 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -26.11 55.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 71.239999999999995 110.892 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -59.02 -64.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 74.230000000000004 110.88 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.2 mt -47.11 -41.54 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 74.450000000000003 111.115 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -79.73 116.07 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 62.130000000000003 110.926 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -96.94 -2.73 43.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 72.230000000000004 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.83 18.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 64.200000000000003 112.497 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.42 101.91 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 75.310000000000002 110.887 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -70.74 84.5 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.5 110.857 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 p -71.47 -18.76 62.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.340000000000003 111.12 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 pt -55.85 -26.34 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 74.540000000000006 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.34 -11.84 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 61.240000000000002 111.1 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -66.62 -16.27 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 71.420000000000002 110.916 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -63.46 -26.01 68.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 71.200000000000003 110.886 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -67.81 -26.33 66.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 71.129999999999995 110.888 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.96 -52.37 50.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.319999999999993 110.94 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.8 tp -72.06 -22.67 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 75.140000000000001 111.134 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -58.77 -21.26 55.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 73.439999999999998 110.885 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -75.05 -15.42 60.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 73.409999999999997 110.914 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 73.450000000000003 111.1 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.97 0.414 . . . . 74.239999999999995 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.78 20.97 17.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 72.439999999999998 111.126 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -174.12 138.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 72.409999999999997 110.893 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.596 ' O ' ' N ' ' A' ' 7' ' ' LEU . 2.6 mp0 -77.07 -74.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 75.439999999999998 110.874 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -29.73 -40.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 71.349999999999994 110.825 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 4' ' ' GLU . 67.5 t -64.19 -46.99 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 74.400000000000006 111.161 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.596 ' N ' ' O ' ' A' ' 4' ' ' GLU . 13.8 tp -76.97 -23.91 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 71.239999999999995 110.961 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 mmt -70.5 -16.84 62.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 64.310000000000002 110.899 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -57.6 -27.24 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.109999999999999 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -88.64 -39.44 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 75.150000000000006 110.89 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -71.41 -18.33 62.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.209999999999994 110.874 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -29.66 62.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.530000000000001 110.909 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -69.37 -64.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.109999999999999 110.907 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mm -47.04 -43.31 6.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 73.439999999999998 111.141 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.99 113.06 20.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.927 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -100.74 -2.92 31.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 75.030000000000001 110.879 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.11 -87.18 1.09 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 70.310000000000002 112.527 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -102.82 135.23 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 75.540000000000006 110.859 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -70.73 121.18 17.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 73.099999999999994 110.88 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 p -71.35 -15.96 62.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 73.150000000000006 111.132 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 pt -53.9 -23.28 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.109999999999999 111.138 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.45 -12.1 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.540000000000006 111.105 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.75 -14.66 59.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 72.430000000000007 110.935 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -60.82 -22.16 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 73.319999999999993 110.884 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -72.27 -27.34 62.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 74.340000000000003 110.901 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -53.19 -58.44 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.936 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 tp -73.4 -23.42 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 72.129999999999995 111.143 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -64.87 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 71.140000000000001 110.886 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -83.21 -25.48 31.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.420000000000002 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 62.140000000000001 111.131 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.904 0.383 . . . . 72.549999999999997 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.4 p -69.74 110.27 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 72.239999999999995 111.159 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -176.93 115.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 74.010000000000005 110.91 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 55.4 mp0 -71.49 -74.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 65.219999999999999 110.877 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -31.12 -40.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 73.319999999999993 110.861 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 4' ' ' GLU . 88.3 t -63.9 -46.14 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 73.140000000000001 111.176 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -76.25 -24.58 54.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.885 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -72.49 -15.68 61.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 110.859 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -57.26 -25.41 59.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 74.409999999999997 110.868 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -87.04 -40.66 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 73.409999999999997 110.848 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -72.65 -18.57 61.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.049999999999997 110.96 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -25.67 59.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.84 -63.08 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.7 mp -46.16 -41.11 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.019999999999996 111.141 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -81.26 115.54 20.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.219999999999999 110.856 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -97.35 -2.76 41.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 72.109999999999999 110.958 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.09 17.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 65.109999999999999 112.513 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 118.56 34.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 63.310000000000002 110.915 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -70.59 87.86 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.099999999999994 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.5 p -71.36 -29.64 65.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 111.162 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.8 pt -56.56 -23.98 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.150000000000006 111.162 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -12.22 3.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 64.400000000000006 111.062 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.64 -15.99 63.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 74.409999999999997 110.91 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -63.67 -21.09 66.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 74.209999999999994 110.857 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -66.24 -25.6 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 73.040000000000006 110.873 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.89 -59.88 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 73.209999999999994 110.919 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.7 mt -73.73 -23.56 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 71.129999999999995 111.156 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -57.79 -23.19 51.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 110.881 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -85.12 -25.76 27.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 75.219999999999999 110.889 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 54.229999999999997 111.126 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.968 0.414 . . . . 64.0 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p -88.18 142.6 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 71.030000000000001 111.2 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.91 62.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 73.040000000000006 110.867 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.632 ' O ' ' N ' ' A' ' 7' ' ' LEU . 9.4 mm-40 -54.68 -71.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.439999999999998 110.858 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -31.23 -40.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.858 -179.757 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' GLU . 65.2 t -77.18 -39.43 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 72.519999999999996 111.144 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.632 ' N ' ' O ' ' A' ' 4' ' ' GLU . 5.4 tp -71.59 -17.06 62.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.219999999999999 110.909 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -20.63 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 64.299999999999997 110.873 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -60.46 -29.86 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 74.420000000000002 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -91.86 -38.24 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 70.129999999999995 110.86 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.77 -14.22 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 75.109999999999999 110.903 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -52.43 -35.92 53.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 70.340000000000003 110.867 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.8 -66.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 73.129999999999995 110.942 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mt -49.1 -42.73 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 73.120000000000005 111.162 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -83.08 115.64 21.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 74.219999999999999 110.908 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -99.21 -2.77 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.420000000000002 110.924 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.99 32.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 51.210000000000001 112.447 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -114.03 105.98 13.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 64.340000000000003 110.936 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -71.56 77.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 64.040000000000006 110.875 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.83 -17.91 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 75.319999999999993 111.122 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -55.17 -27.33 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.230000000000004 111.169 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.0 -17.15 15.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.230000000000004 111.109 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -69.43 -16.99 63.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.938 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -65.72 -29.4 69.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 61.140000000000001 110.872 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -73.43 -28.59 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 75.400000000000006 110.902 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.91 -49.82 65.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 72.549999999999997 110.885 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.2 mt -72.83 -20.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 74.319999999999993 111.108 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -57.77 -22.76 48.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.329999999999998 110.89 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -84.89 -26.55 27.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 74.329999999999998 110.825 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.519999999999996 111.173 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.967 0.413 . . . . 73.140000000000001 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.69 19.83 19.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 64.030000000000001 111.161 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -121.45 87.42 2.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 74.540000000000006 110.871 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.614 ' O ' ' N ' ' A' ' 7' ' ' LEU . 5.6 mm-40 -117.16 -73.96 0.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 73.099999999999994 110.887 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -31.58 -40.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 71.349999999999994 110.885 -179.806 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' GLU . 7.1 p -74.07 -40.71 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 75.129999999999995 111.138 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' A' ' 4' ' ' GLU . 1.4 mm? -72.82 -17.33 61.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 70.439999999999998 110.896 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -57.43 -20.39 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.219999999999999 110.891 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -60.27 -29.97 69.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.834 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -91.31 -38.61 12.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.846 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -70.13 -15.34 62.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 61.020000000000003 110.891 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -55.66 -33.8 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.310000000000002 110.928 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -71.03 -69.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.230000000000004 110.896 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 pp -49.31 -41.41 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 75.239999999999995 111.161 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -82.92 115.17 21.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 75.420000000000002 110.853 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -99.04 -2.93 35.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.310000000000002 110.917 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.52 31.6 0.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 72.439999999999998 112.494 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.79 103.25 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 72.519999999999996 110.882 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -72.45 72.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 74.329999999999998 110.909 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -17.75 62.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 74.319999999999993 111.157 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.4 mt -55.16 -26.39 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 73.019999999999996 111.127 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.7 -16.94 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.439999999999998 111.057 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -69.3 -16.8 63.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 110.905 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.92 -28.86 64.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 72.450000000000003 110.907 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -71.77 -31.02 66.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 73.409999999999997 110.856 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -52.74 -50.42 63.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.936 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.6 tt -70.6 -23.47 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 72.420000000000002 111.11 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -61.26 -22.77 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.824 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -76.97 -25.39 52.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 64.010000000000005 110.906 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 64.430000000000007 111.125 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.888 0.375 . . . . 74.329999999999998 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 p -132.93 108.56 9.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 73.450000000000003 111.166 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -149.2 123.62 9.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.040000000000006 110.873 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.586 ' O ' ' N ' ' A' ' 7' ' ' LEU . 59.4 mp0 -63.54 -75.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.349999999999994 110.865 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.22 -40.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 72.129999999999995 110.823 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 4' ' ' GLU . 61.2 t -64.59 -46.45 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.5 111.105 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -76.62 -24.18 53.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 110.944 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.0 mmt -70.67 -16.71 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 75.040000000000006 110.849 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -57.64 -26.39 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.869 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -87.49 -39.71 14.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -71.7 -17.08 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -55.52 -26.38 42.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.909 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.66 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.150000000000006 110.943 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mp -47.47 -42.45 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 111.13 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -82.67 115.36 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 64.200000000000003 110.908 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -97.57 -2.67 41.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 75.010000000000005 110.906 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.59 16.35 0.96 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 63.340000000000003 112.465 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -113.96 100.35 8.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.801 0.334 . . . . 74.400000000000006 110.878 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -71.03 81.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 62.509999999999998 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 p -71.44 -19.36 62.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.169 -0.469 . . . . 74.120000000000005 111.163 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.1 pt -56.29 -25.79 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 61.200000000000003 111.168 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -13.0 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.230000000000004 111.076 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -67.09 -16.26 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.310000000000002 110.969 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.35 -26.06 68.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 74.450000000000003 110.91 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -70.68 -27.26 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 72.310000000000002 110.858 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -51.99 -59.77 3.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.5 110.915 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.96 -17.53 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 71.109999999999999 111.102 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -19.06 60.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 75.409999999999997 110.864 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -73.58 -17.17 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 71.340000000000003 110.91 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 73.219999999999999 111.173 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.918 0.39 . . . . 71.420000000000002 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.9 p -143.32 147.58 34.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 52.409999999999997 111.177 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -131.18 106.88 8.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 74.219999999999999 110.881 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.614 ' O ' ' N ' ' A' ' 7' ' ' LEU . 57.4 mp0 -96.04 -75.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 73.310000000000002 110.872 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -30.73 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 71.540000000000006 110.856 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 4' ' ' GLU . 38.8 t -77.34 -40.11 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 111.141 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' A' ' 4' ' ' GLU . 68.8 tp -72.11 -16.44 62.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.938 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -18.86 22.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.219999999999999 110.878 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -28.18 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 74.430000000000007 110.891 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -91.14 -38.5 12.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.299999999999997 110.836 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -15.0 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 74.319999999999993 110.915 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -53.8 -38.23 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 64.230000000000004 110.87 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -70.68 -66.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 74.120000000000005 110.901 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.4 mt -48.6 -43.42 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.510000000000005 111.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -83.64 115.48 22.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 70.120000000000005 110.927 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -98.27 -2.68 38.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.120000000000005 110.938 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.05 26.93 0.25 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 61.049999999999997 112.523 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -113.67 99.72 7.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.805 0.336 . . . . 75.519999999999996 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -71.09 80.84 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 74.409999999999997 110.899 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -18.72 62.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.140000000000001 111.111 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.2 -26.5 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -18.67 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.430000000000007 111.13 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.47 -16.66 63.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 75.420000000000002 110.928 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.73 -31.17 72.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 75.519999999999996 110.845 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 ttt-85 -76.12 -29.16 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 75.329999999999998 110.865 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -53.19 -56.45 16.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.922 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 tt -67.23 -22.55 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 73.420000000000002 111.152 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -69.29 -21.14 63.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 70.340000000000003 110.869 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -83.82 -26.0 29.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 63.25 110.888 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.150000000000006 111.137 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.911 0.386 . . . . 74.099999999999994 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.01 27.44 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 54.43 111.14 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 54.68 42.57 31.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 65.099999999999994 110.867 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 7' ' ' LEU . 2.8 mt-10 -67.17 -74.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 72.450000000000003 110.916 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -30.61 -42.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.140000000000001 110.835 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 4' ' ' GLU . 26.3 t -78.71 -39.64 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.230000000000004 111.09 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' A' ' 4' ' ' GLU . 58.0 tp -68.38 -16.35 63.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 73.010000000000005 110.936 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -21.31 22.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 75.319999999999993 110.9 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -61.16 -31.05 70.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.87 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.7 mtt-85 -92.76 -39.03 11.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 75.510000000000005 110.858 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -70.61 -14.54 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.310000000000002 110.926 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -36.51 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.420000000000002 110.917 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -71.05 -67.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 70.040000000000006 110.868 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mt -49.08 -43.57 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 70.310000000000002 111.151 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -83.65 115.54 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.040000000000006 110.856 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -98.47 -2.72 38.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.929 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.06 29.04 0.28 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 61.229999999999997 112.519 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.69 96.67 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 74.230000000000004 110.941 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -71.35 79.32 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 71.239999999999995 110.918 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -17.86 62.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 72.329999999999998 111.15 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.3 mt -54.8 -26.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 74.129999999999995 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.47 -18.78 20.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 71.109999999999999 111.094 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -17.08 62.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.914 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -64.86 -29.14 70.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 64.120000000000005 110.877 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -72.89 -28.43 62.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 71.439999999999998 110.862 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -53.0 -55.58 22.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.0 mt -68.22 -22.65 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 62.229999999999997 111.105 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -23.29 51.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 73.430000000000007 110.881 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -85.16 -25.84 27.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 110.927 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 73.439999999999998 111.13 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.896 0.379 . . . . 75.319999999999993 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.0 p -151.52 130.69 12.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 75.409999999999997 111.116 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -146.16 123.82 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 110.899 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.594 ' O ' ' N ' ' A' ' 7' ' ' LEU . 13.1 mp0 -90.89 -74.7 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 71.430000000000007 110.856 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.482 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -30.01 -40.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 74.510000000000005 110.834 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 4' ' ' GLU . 61.5 t -64.03 -46.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 74.230000000000004 111.129 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -77.12 -24.53 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.049999999999997 110.907 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.4 mmt -72.79 -14.81 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 73.010000000000005 110.903 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -56.03 -25.78 46.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.868 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -86.82 -37.12 18.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.209999999999994 110.928 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -71.34 -18.01 62.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 64.150000000000006 110.952 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -57.34 -28.29 63.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 73.040000000000006 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -69.86 -66.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.915 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 tt -47.93 -42.62 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 111.191 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -84.06 113.55 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 74.510000000000005 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -99.93 -2.74 33.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.329999999999998 110.964 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.14 -96.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 64.120000000000005 112.511 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -102.98 152.67 21.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 73.200000000000003 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -70.46 120.76 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -71.78 -16.93 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.030000000000001 111.119 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.4 pt -54.38 -23.23 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 74.109999999999999 111.128 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.95 -12.01 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 75.400000000000006 111.072 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -15.09 62.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.510000000000005 110.927 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -61.62 -26.17 67.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 75.409999999999997 110.911 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -68.64 -26.49 65.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.510000000000005 110.891 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.06 -55.09 22.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 71.099999999999994 110.897 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.9 pt -72.41 -23.47 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 75.439999999999998 111.104 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -61.12 -22.69 64.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.209999999999994 110.896 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -77.62 -25.45 49.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 71.340000000000003 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 74.120000000000005 111.176 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.943 0.401 . . . . 74.25 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -167.22 138.25 3.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 74.430000000000007 111.134 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.52 125.09 14.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 75.239999999999995 110.878 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.618 ' O ' ' N ' ' A' ' 7' ' ' LEU . 20.0 mm-40 -117.03 -72.02 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 73.319999999999993 110.858 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -31.23 -40.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 110.911 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 4' ' ' GLU . 8.6 p -76.37 -40.34 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 73.450000000000003 111.127 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 4' ' ' GLU . 5.9 tp -73.45 -16.51 61.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.219999999999999 110.896 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -18.54 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.450000000000003 110.876 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -27.58 55.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 75.439999999999998 110.866 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -38.04 13.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 110.854 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -15.35 63.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 73.129999999999995 110.93 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -53.73 -38.49 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 74.140000000000001 110.881 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -70.43 -66.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 74.040000000000006 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mt -48.34 -43.15 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 72.450000000000003 111.138 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -83.49 114.98 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 72.439999999999998 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -98.89 -2.94 36.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.519999999999996 110.915 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.18 28.17 0.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 72.099999999999994 112.489 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -113.69 108.13 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 63.539999999999999 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -71.8 76.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 71.319999999999993 110.921 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.6 m -71.73 -21.46 61.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 64.010000000000005 111.156 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.7 mt -55.92 -24.55 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.519999999999996 111.184 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.19 -15.38 9.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 75.329999999999998 111.035 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -68.32 -16.54 63.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 62.130000000000003 110.93 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.04 -31.01 72.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 73.400000000000006 110.899 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -76.1 -27.01 56.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 110.895 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -52.67 -53.02 53.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 110.924 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.8 tp -70.52 -23.51 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.140000000000001 111.127 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -63.27 -22.71 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 75.239999999999995 110.883 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -78.54 -25.46 45.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 74.530000000000001 110.87 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 73.510000000000005 111.144 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.908 0.385 . . . . 74.439999999999998 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -137.98 27.43 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.120000000000005 111.149 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -146.22 112.87 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 71.209999999999994 110.831 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.562 ' O ' ' N ' ' A' ' 7' ' ' LEU . 54.9 mp0 -87.08 -75.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 110.863 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -31.09 -39.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 74.329999999999998 110.905 -179.771 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 4' ' ' GLU . 58.8 t -63.33 -47.0 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 70.239999999999995 111.078 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 4' ' ' GLU . 7.7 tp -78.79 -20.63 49.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 72.230000000000004 110.91 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -14.99 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 110.836 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -25.21 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 73.140000000000001 110.849 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -86.91 -38.04 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.019999999999996 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -70.13 -17.65 63.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.879 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -26.55 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.933 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -68.52 -66.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.230000000000004 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.2 pt -47.84 -41.08 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 111.157 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -82.79 114.59 21.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 75.549999999999997 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -99.76 -3.64 32.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 74.140000000000001 110.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.62 16.5 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 62.119999999999997 112.491 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -114.77 119.26 36.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 74.510000000000005 110.901 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -70.22 96.87 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 72.209999999999994 110.904 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 p -71.51 -30.01 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 111.16 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.9 mt -56.98 -26.5 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 73.299999999999997 111.089 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.62 -13.02 11.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 70.450000000000003 111.065 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -68.18 -16.4 63.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 74.239999999999995 110.932 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -62.6 -28.94 70.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 75.239999999999995 110.841 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -70.35 -27.63 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 110.853 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.87 -52.55 57.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 74.319999999999993 110.925 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.8 tp -69.65 -22.69 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 73.109999999999999 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -58.89 -21.05 56.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 75.010000000000005 110.872 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.42 -15.31 60.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 75.030000000000001 110.897 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.329999999999998 111.068 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.921 0.391 . . . . 75.209999999999994 110.89 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.8 p -93.17 155.91 17.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 111.173 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -175.72 136.22 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 72.040000000000006 110.889 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.62 ' O ' ' N ' ' A' ' 7' ' ' LEU . 14.1 mm-40 -115.42 -61.24 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 72.430000000000007 110.898 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.95 -41.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 61.219999999999999 110.882 -179.786 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' GLU . 7.8 p -77.3 -39.38 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 65.329999999999998 111.165 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.62 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -69.26 -15.24 63.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 74.230000000000004 110.917 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -55.05 -22.17 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.519999999999996 110.848 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -61.71 -32.33 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 71.230000000000004 110.887 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -93.78 -38.77 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.883 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -14.66 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 72.400000000000006 110.914 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -53.17 -38.85 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 110.921 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -71.2 -66.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 74.120000000000005 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.5 mt -48.22 -43.12 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 74.200000000000003 111.102 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -83.26 115.1 21.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 65.519999999999996 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -99.14 -2.8 36.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 72.109999999999999 110.922 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.87 31.42 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 73.120000000000005 112.493 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -113.71 103.38 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 74.140000000000001 110.922 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -72.77 70.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 54.43 110.926 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.4 t -71.71 -17.76 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 111.133 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.4 pt -55.35 -25.86 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.143 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 -15.56 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.530000000000001 111.06 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -68.63 -16.79 63.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 73.5 110.937 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -62.75 -31.48 72.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 63.119999999999997 110.889 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -76.87 -26.74 54.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 74.540000000000006 110.878 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -53.19 -58.97 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.329999999999998 110.959 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.9 tt -65.45 -23.39 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 71.209999999999994 111.17 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -65.4 -22.66 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 72.519999999999996 110.873 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -80.51 -25.42 38.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.129999999999995 110.886 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 111.12 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.927 0.394 . . . . 74.219999999999999 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.6 p -52.4 168.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 71.439999999999998 111.146 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.55 138.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 71.430000000000007 110.874 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.626 ' O ' ' N ' ' A' ' 7' ' ' LEU . 16.1 mp0 -128.21 -63.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 73.409999999999997 110.905 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.88 -40.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 110.907 -179.78 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 4' ' ' GLU . 92.3 t -76.48 -40.49 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 111.141 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.626 ' N ' ' O ' ' A' ' 4' ' ' GLU . 53.7 mt -71.85 -14.98 62.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 75.439999999999998 110.9 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -55.94 -20.58 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 72.109999999999999 110.877 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -29.32 64.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 74.319999999999993 110.9 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -92.97 -38.6 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.140000000000001 110.871 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -69.92 -14.86 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 73.530000000000001 110.895 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -38.72 63.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 75.400000000000006 110.87 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -70.96 -66.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 72.310000000000002 110.907 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.1 mt -48.32 -43.07 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.450000000000003 111.152 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -83.15 115.12 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 75.430000000000007 110.875 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -99.06 -2.77 36.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 72.329999999999998 110.941 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.99 28.47 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 70.25 112.467 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -113.65 102.14 9.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 74.519999999999996 110.95 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -71.38 79.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 71.040000000000006 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -17.79 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.299999999999997 111.17 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.7 pt -55.04 -26.9 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 71.430000000000007 111.18 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.31 -17.74 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 72.450000000000003 111.121 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -70.29 -16.51 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.409999999999997 110.893 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -31.27 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 74.019999999999996 110.909 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -76.89 -26.95 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 110.835 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.25 -56.08 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.340000000000003 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.1 pt -64.04 -23.09 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 73.430000000000007 111.111 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -65.28 -17.11 64.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 74.319999999999993 110.928 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.71 -19.07 60.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 110.868 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 111.121 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.967 0.413 . . . . 74.140000000000001 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.7 p -59.56 -179.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 71.299999999999997 111.123 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 62.61 37.07 13.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 72.109999999999999 110.873 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.591 ' O ' ' N ' ' A' ' 7' ' ' LEU . 58.2 mp0 -58.55 -74.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 110.893 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -30.71 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 75.430000000000007 110.866 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' GLU . 44.4 t -65.7 -45.33 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 73.209999999999994 111.141 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -75.98 -20.94 57.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 110.917 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -59.75 -18.77 45.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 110.859 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.4 mmm-85 -60.21 -27.39 67.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 110.86 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -89.66 -41.74 11.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.219999999999999 110.862 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -15.68 61.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.400000000000006 110.941 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -55.22 -26.84 42.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -69.95 -66.95 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 74.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tt -48.46 -43.75 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 111.132 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -84.82 113.4 21.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 73.129999999999995 110.873 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -102.03 -3.04 28.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 71.120000000000005 110.915 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.92 26.06 1.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 72.140000000000001 112.513 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -114.6 104.91 12.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.334 . . . . 75.340000000000003 110.875 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 p30 -73.4 65.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 73.310000000000002 110.902 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.81 -15.92 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 72.140000000000001 111.146 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 pp -53.76 -25.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.519999999999996 111.148 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.22 -13.59 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.209999999999994 111.06 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -67.49 -16.66 64.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 71.400000000000006 110.933 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.34 -27.41 63.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 71.319999999999993 110.866 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -72.42 -29.89 64.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 75.409999999999997 110.816 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -53.08 -54.66 32.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.109999999999999 110.916 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.3 tt -63.93 -21.9 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 74.349999999999994 111.145 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -69.23 -21.39 63.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 75.299999999999997 110.926 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -83.83 -25.91 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 72.209999999999994 110.934 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 74.540000000000006 111.172 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.933 0.396 . . . . 63.399999999999999 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 p -138.95 -173.22 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 72.430000000000007 111.161 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -173.26 137.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 64.510000000000005 110.885 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.61 ' O ' ' N ' ' A' ' 7' ' ' LEU . 19.9 mp0 -86.79 -71.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.209999999999994 110.898 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -31.18 -39.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 70.349999999999994 110.891 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' GLU . 49.1 t -68.1 -44.22 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 75.049999999999997 111.137 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' A' ' 4' ' ' GLU . 2.0 tt -76.16 -22.44 55.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 74.030000000000001 110.918 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -18.54 52.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 75.310000000000002 110.868 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -58.64 -28.13 65.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 75.109999999999999 110.884 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -39.59 13.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 110.888 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.53 -16.36 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.902 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -27.46 37.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.140000000000001 110.887 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -69.65 -65.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.219999999999999 110.895 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -48.14 -43.04 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.420000000000002 111.09 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -83.37 115.11 21.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 71.329999999999998 110.871 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -98.62 -2.78 37.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 75.099999999999994 110.898 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.43 26.52 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 72.329999999999998 112.499 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.69 104.87 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 72.340000000000003 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -72.13 74.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 65.329999999999998 110.866 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -71.91 -17.56 62.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 64.310000000000002 111.166 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.3 mt -54.7 -25.13 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 71.400000000000006 111.122 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -16.41 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.019999999999996 111.121 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -68.56 -16.75 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 71.519999999999996 110.97 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -70.93 -25.67 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 74.239999999999995 110.811 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -75.12 -28.49 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.420000000000002 110.86 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -53.29 -51.52 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.420000000000002 110.934 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -23.56 28.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 71.219999999999999 111.128 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -69.2 -23.09 63.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.439999999999998 110.891 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -84.47 -26.15 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 73.430000000000007 110.906 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 72.400000000000006 111.092 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.94 0.4 . . . . 75.030000000000001 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t -67.46 164.01 19.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 73.129999999999995 111.147 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -131.74 74.76 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 72.230000000000004 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.616 ' O ' ' N ' ' A' ' 7' ' ' LEU . 3.3 mt-10 -83.57 -73.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.896 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -31.48 -40.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.430000000000007 110.84 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 4' ' ' GLU . 29.8 t -70.82 -42.55 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 75.150000000000006 111.125 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.616 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -73.96 -16.97 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.219999999999999 110.933 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -19.98 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 73.540000000000006 110.864 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -59.07 -29.61 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 72.400000000000006 110.856 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -91.36 -39.09 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.530000000000001 110.89 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -70.78 -14.67 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 110.936 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -52.62 -36.23 56.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.13 -66.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.120000000000005 110.921 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -48.67 -42.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.129999999999995 111.141 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -83.35 114.96 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.450000000000003 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -99.25 -3.01 35.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 74.439999999999998 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.94 43.65 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 63.539999999999999 112.471 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.69 120.18 39.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 74.299999999999997 110.891 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -73.54 63.64 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 75.219999999999999 110.907 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -71.62 -18.99 62.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 74.129999999999995 111.159 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.1 mt -56.52 -25.47 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 111.127 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.63 -20.01 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.0 111.084 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -73.4 -16.91 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.109999999999999 110.893 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -72.94 -30.88 64.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 61.340000000000003 110.852 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -76.86 -30.71 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 72.310000000000002 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.08 -57.29 10.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 75.040000000000006 110.912 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.3 tt -64.29 -23.5 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 74.430000000000007 111.099 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -67.59 -22.75 65.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 72.430000000000007 110.915 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -83.82 -25.44 30.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 75.219999999999999 110.875 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 72.25 111.17 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.961 0.41 . . . . 74.230000000000004 110.866 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.48 156.19 17.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 75.439999999999998 111.121 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.83 109.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 71.310000000000002 110.825 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 7' ' ' LEU . 6.6 mm-40 -82.31 -62.5 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 71.319999999999993 110.916 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -30.63 -42.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 73.209999999999994 110.816 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' GLU . 73.9 t -78.7 -39.54 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 111.095 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 4' ' ' GLU . 11.3 tp -68.05 -16.4 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 71.530000000000001 110.959 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -21.49 22.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 75.140000000000001 110.889 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -61.47 -31.28 71.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.030000000000001 110.842 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -93.0 -38.65 11.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 64.340000000000003 110.865 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -14.77 62.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.209999999999994 110.957 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -53.01 -36.24 60.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 65.230000000000004 110.897 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -71.15 -66.9 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 75.349999999999994 110.905 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.0 mt -49.08 -43.45 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.128 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -83.52 115.23 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 71.230000000000004 110.914 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -98.83 -2.86 36.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 75.439999999999998 110.906 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.38 27.63 0.25 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 72.099999999999994 112.481 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.67 99.19 7.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 72.530000000000001 110.866 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -71.27 79.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 73.319999999999993 110.887 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -17.54 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 111.143 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -54.64 -25.73 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 73.319999999999993 111.144 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.42 -17.89 15.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 74.299999999999997 111.119 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -69.49 -16.88 63.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 74.049999999999997 110.886 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.32 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 75.329999999999998 110.905 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -75.59 -26.01 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 74.129999999999995 110.891 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -54.87 -52.13 63.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.530000000000001 110.91 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.15 -25.45 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 73.209999999999994 111.109 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -58.99 -19.57 44.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 110.905 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -84.81 -25.28 28.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.540000000000006 110.905 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 73.310000000000002 111.153 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.933 0.397 . . . . 71.409999999999997 110.905 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -151.71 29.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 74.450000000000003 111.131 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -138.59 104.87 5.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 72.200000000000003 110.853 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 7' ' ' LEU . 44.2 mm-40 -87.44 -67.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 72.219999999999999 110.883 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -31.42 -41.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 72.049999999999997 110.858 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' GLU . 85.7 t -76.77 -39.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 75.430000000000007 111.083 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 4' ' ' GLU . 12.2 tp -70.84 -15.26 62.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.948 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -55.73 -21.05 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 72.540000000000006 110.857 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -60.13 -30.74 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 75.329999999999998 110.873 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -94.11 -38.3 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.873 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -13.87 62.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 74.230000000000004 110.922 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -51.68 -32.46 29.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -71.22 -66.75 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 70.099999999999994 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mm -49.26 -41.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 73.120000000000005 111.135 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.473 HD21 ' N ' ' A' ' 15' ' ' ASN . 1.3 m-80 -71.45 114.0 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 70.420000000000002 110.864 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -100.31 -3.51 31.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 71.409999999999997 110.928 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.59 31.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 73.329999999999998 112.471 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -113.97 112.58 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 74.519999999999996 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -70.52 85.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 70.349999999999994 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -18.61 62.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 74.200000000000003 111.141 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.5 pt -56.13 -27.05 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.420000000000002 111.137 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -18.11 17.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.120000000000005 111.099 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -71.87 -16.16 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 73.430000000000007 110.927 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.81 -26.1 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 65.030000000000001 110.877 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -72.59 -26.78 61.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.409999999999997 110.883 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -53.37 -49.91 66.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 110.917 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.5 tt -73.6 -23.42 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 75.010000000000005 111.099 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -68.75 -22.72 64.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 62.310000000000002 110.896 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -83.83 -25.4 30.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 73.319999999999993 110.898 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 75.439999999999998 111.153 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.904 0.383 . . . . 74.530000000000001 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.0 p -103.46 102.0 11.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 74.439999999999998 111.165 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -167.98 122.05 0.94 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 75.540000000000006 110.913 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.576 ' O ' ' N ' ' A' ' 7' ' ' LEU . 59.3 mp0 -109.98 -75.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.219999999999999 110.879 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.74 -40.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 72.510000000000005 110.876 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 4' ' ' GLU . 77.3 t -64.79 -45.83 93.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 65.349999999999994 111.121 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 4' ' ' GLU . 5.3 tp -77.31 -20.07 55.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.895 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.4 mmt -60.78 -15.56 31.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 75.209999999999994 110.899 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -25.59 23.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 75.299999999999997 110.855 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -37.72 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.855 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -69.58 -16.49 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 72.109999999999999 110.876 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -55.44 -34.31 64.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.099999999999994 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.7 -65.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.040000000000006 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.2 tt -47.77 -42.36 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 73.409999999999997 111.13 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -83.49 114.72 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.530000000000001 110.903 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.86 -2.99 36.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.150000000000006 110.964 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.07 22.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 70.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.55 109.84 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 75.140000000000001 110.915 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -70.37 84.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 73.209999999999994 110.901 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -71.24 -18.87 62.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 72.340000000000003 111.114 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pp -55.69 -25.46 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.109999999999999 111.124 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.16 -17.58 11.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 111.138 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.59 -16.66 63.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.961 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.45 -25.73 62.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 62.229999999999997 110.895 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.54 -29.16 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.450000000000003 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -53.28 -58.47 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 64.040000000000006 110.905 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tt -64.46 -22.63 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 74.450000000000003 111.127 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -66.37 -22.7 66.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.865 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.79 -25.36 30.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.918 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 72.109999999999999 111.098 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.873 0.368 . . . . 71.530000000000001 110.843 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.53 -45.97 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 73.200000000000003 111.099 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.4 tp -76.17 -24.31 54.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 63.229999999999997 110.915 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.6 mmt -71.86 -16.07 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.349999999999994 110.873 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -57.5 -26.13 60.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 70.230000000000004 110.87 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -87.24 -41.17 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.558 ' OE1' HD13 ' A' ' 14' ' ' ILE . 9.2 tp-100 -73.03 -18.19 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.430000000000007 110.884 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -25.57 56.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 61.039999999999999 110.907 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -57.85 -63.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 70.400000000000006 110.909 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.558 HD13 ' OE1' ' A' ' 11' ' ' GLN . 3.7 mp -46.79 -41.23 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 64.010000000000005 111.13 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.68 115.87 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 62.420000000000002 110.872 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -97.85 -2.73 40.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 72.319999999999993 110.899 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.08 17.7 0.62 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 71.030000000000001 112.468 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -114.67 107.74 15.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 64.140000000000001 110.867 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -70.73 88.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 74.109999999999999 110.881 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.5 p -71.5 -19.15 62.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 74.349999999999994 111.095 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.96 -26.73 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 72.420000000000002 111.131 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.73 -11.81 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 33.329999999999998 111.077 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.91 -15.61 63.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 75.219999999999999 110.887 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -30.61 71.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 62.109999999999999 110.872 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 ttp85 -66.91 -27.03 67.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 74.010000000000005 110.892 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.35 -54.31 38.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 64.310000000000002 110.918 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 30' ' ' VAL . 5.9 tp -73.69 -23.84 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 75.129999999999995 111.141 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -64.1 -15.66 60.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 55.140000000000001 110.93 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -83.3 -15.41 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.120000000000005 110.908 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 27' ' ' ILE . 9.2 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 63.43 111.138 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.946 0.403 . . . . 73.420000000000002 110.87 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.502 HG13 HD12 ' A' ' 7' ' ' LEU . 7.4 p -65.12 -45.12 95.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 51.140000000000001 111.092 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.502 HD12 HG13 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -76.64 -23.3 53.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 61.240000000000002 110.931 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.4 mmt -72.49 -16.49 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.439999999999998 110.886 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -58.01 -26.73 62.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.200000000000003 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -87.73 -41.15 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.299999999999997 110.875 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -72.74 -17.84 61.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 75.239999999999995 110.875 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -26.11 55.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 70.219999999999999 110.892 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -59.02 -64.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 74.230000000000004 110.88 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.2 mt -47.11 -41.54 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 72.530000000000001 111.115 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -79.73 116.07 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 53.219999999999999 110.926 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -96.94 -2.73 43.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 63.039999999999999 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.83 18.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 61.219999999999999 112.497 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.42 101.91 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 75.209999999999994 110.887 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -70.74 84.5 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.5 110.857 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 p -71.47 -18.76 62.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 64.129999999999995 111.12 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 pt -55.85 -26.34 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 72.450000000000003 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.34 -11.84 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 61.240000000000002 111.1 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -66.62 -16.27 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 61.119999999999997 110.916 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -63.46 -26.01 68.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 71.200000000000003 110.886 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -67.81 -26.33 66.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 60.530000000000001 110.888 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.96 -52.37 50.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.319999999999993 110.94 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.8 tp -72.06 -22.67 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 63.229999999999997 111.134 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -58.77 -21.26 55.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 55.020000000000003 110.885 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -75.05 -15.42 60.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 73.409999999999997 110.914 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 73.450000000000003 111.1 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.902 0.382 . . . . 71.349999999999994 110.825 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.19 -46.99 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 72.129999999999995 111.161 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 tp -76.97 -23.91 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 71.239999999999995 110.961 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 mmt -70.5 -16.84 62.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 53.399999999999999 110.899 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -57.6 -27.24 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 64.540000000000006 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -88.64 -39.44 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 62.240000000000002 110.89 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -71.41 -18.33 62.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.209999999999994 110.874 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -29.66 62.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.530000000000001 110.909 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -69.37 -64.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.109999999999999 110.907 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mm -47.04 -43.31 6.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 63.350000000000001 111.141 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.99 113.06 20.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 62.25 110.927 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -100.74 -2.92 31.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 61.25 110.879 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.11 -87.18 1.09 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 62.329999999999998 112.527 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -102.82 135.23 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 75.030000000000001 110.859 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -70.73 121.18 17.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 72.420000000000002 110.88 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 p -71.35 -15.96 62.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 73.150000000000006 111.132 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 pt -53.9 -23.28 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.109999999999999 111.138 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.45 -12.1 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.540000000000006 111.105 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.75 -14.66 59.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 62.140000000000001 110.935 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -60.82 -22.16 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 73.319999999999993 110.884 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -72.27 -27.34 62.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 74.340000000000003 110.901 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -53.19 -58.44 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.936 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 tp -73.4 -23.42 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 72.129999999999995 111.143 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -64.87 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 71.140000000000001 110.886 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -83.21 -25.48 31.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.420000000000002 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 62.140000000000001 111.131 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.87 0.367 . . . . 73.319999999999993 110.861 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.9 -46.14 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 71.510000000000005 111.176 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -24.58 54.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 64.209999999999994 110.885 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -72.49 -15.68 61.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.219999999999999 110.859 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -57.26 -25.41 59.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 55.119999999999997 110.868 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -87.04 -40.66 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 71.209999999999994 110.848 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -72.65 -18.57 61.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.049999999999997 110.96 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.56 ' HA ' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -57.27 -25.67 59.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 70.340000000000003 110.907 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.84 -63.08 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.7 mp -46.16 -41.11 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 50.200000000000003 111.141 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -81.26 115.54 20.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.219999999999999 110.856 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -97.35 -2.76 41.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 72.030000000000001 110.958 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.09 17.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 65.109999999999999 112.513 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 118.56 34.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 63.310000000000002 110.915 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 2.8 p30 -70.59 87.86 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.099999999999994 110.869 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.56 HG21 ' HA ' ' A' ' 12' ' ' LYS . 30.5 p -71.36 -29.64 65.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 62.100000000000001 111.162 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.8 pt -56.56 -23.98 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 42.210000000000001 111.162 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -12.22 3.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 42.32 111.062 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.64 -15.99 63.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 74.120000000000005 110.91 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -63.67 -21.09 66.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 74.209999999999994 110.857 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -66.24 -25.6 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 73.040000000000006 110.873 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.89 -59.88 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 65.450000000000003 110.919 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.7 mt -73.73 -23.56 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 71.129999999999995 111.156 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -57.79 -23.19 51.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 72.030000000000001 110.881 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -85.12 -25.76 27.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 75.219999999999999 110.889 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 34.200000000000003 111.126 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.91 0.386 . . . . 72.010000000000005 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.2 t -77.18 -39.43 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 72.519999999999996 111.144 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.59 -17.06 62.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 61.399999999999999 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -20.63 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 61.149999999999999 110.873 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -60.46 -29.86 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 74.239999999999995 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -91.86 -38.24 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 70.129999999999995 110.86 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -14.22 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 65.409999999999997 110.903 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -52.43 -35.92 53.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 63.439999999999998 110.867 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.8 -66.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 53.240000000000002 110.942 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mt -49.1 -42.73 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 61.5 111.162 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -83.08 115.64 21.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 62.43 110.908 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -99.21 -2.77 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 73.5 110.924 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.99 32.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 32.509999999999998 112.447 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -114.03 105.98 13.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 64.340000000000003 110.936 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -71.56 77.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 64.040000000000006 110.875 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.643 HG22 ' HE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -71.83 -17.91 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 75.319999999999993 111.122 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.475 HD12 ' H ' ' A' ' 21' ' ' ILE . 3.8 mp -55.17 -27.33 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 71.540000000000006 111.169 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.0 -17.15 15.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 70.340000000000003 111.109 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.643 ' HE2' HG22 ' A' ' 20' ' ' THR . 17.7 m-85 -69.43 -16.99 63.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 60.539999999999999 110.938 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -65.72 -29.4 69.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 61.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -73.43 -28.59 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 75.299999999999997 110.902 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.91 -49.82 65.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 72.549999999999997 110.885 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.417 ' HA ' HG12 ' A' ' 30' ' ' VAL . 82.2 mt -72.83 -20.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.310000000000002 111.108 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -57.77 -22.76 48.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 110.89 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -84.89 -26.55 27.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 74.329999999999998 110.825 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 27' ' ' ILE . 6.0 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.519999999999996 111.173 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 63.329999999999998 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 7' ' ' LEU . 7.1 p -74.07 -40.71 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 75.129999999999995 111.138 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.412 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.4 mm? -72.82 -17.33 61.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 70.439999999999998 110.896 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -57.43 -20.39 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.549999999999997 110.891 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -60.27 -29.97 69.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.834 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -91.31 -38.61 12.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.030000000000001 110.846 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -70.13 -15.34 62.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 50.210000000000001 110.891 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -55.66 -33.8 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 64.010000000000005 110.928 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -71.03 -69.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.230000000000004 110.896 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.428 HD12 ' CG ' ' A' ' 15' ' ' ASN . 1.3 pp -49.31 -41.41 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 75.239999999999995 111.161 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.428 ' CG ' HD12 ' A' ' 14' ' ' ILE . 27.7 m120 -82.92 115.17 21.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 75.420000000000002 110.853 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -99.04 -2.93 35.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.230000000000004 110.917 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.52 31.6 0.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 72.439999999999998 112.494 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.79 103.25 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 72.519999999999996 110.882 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -72.45 72.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 74.329999999999998 110.909 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.467 HG22 ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -71.91 -17.75 62.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 65.129999999999995 111.157 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.4 mt -55.16 -26.39 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 73.019999999999996 111.127 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.7 -16.94 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 64.340000000000003 111.057 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.467 ' CD2' HG22 ' A' ' 20' ' ' THR . 7.9 m-85 -69.3 -16.8 63.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 110.905 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.92 -28.86 64.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 72.450000000000003 110.907 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -71.77 -31.02 66.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 64.209999999999994 110.856 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -52.74 -50.42 63.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.936 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.6 tt -70.6 -23.47 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 72.420000000000002 111.11 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -61.26 -22.77 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.209999999999994 110.824 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -76.97 -25.39 52.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 61.43 110.906 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 63.109999999999999 111.125 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.892 0.377 . . . . 31.440000000000001 110.823 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.59 -46.45 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 62.25 111.105 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.62 -24.18 53.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 74.450000000000003 110.944 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.0 mmt -70.67 -16.71 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 75.040000000000006 110.849 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -57.64 -26.39 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 62.119999999999997 110.869 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -87.49 -39.71 14.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.109999999999999 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -71.7 -17.08 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -55.52 -26.38 42.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.909 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.66 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.943 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mp -47.47 -42.45 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 54.329999999999998 111.13 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -82.67 115.36 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 43.119999999999997 110.908 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -97.57 -2.67 41.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.906 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.59 16.35 0.96 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 63.009999999999998 112.465 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -113.96 100.35 8.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.801 0.334 . . . . 74.400000000000006 110.878 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -71.03 81.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 62.509999999999998 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 p -71.44 -19.36 62.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.169 -0.469 . . . . 74.120000000000005 111.163 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.1 pt -56.29 -25.79 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 61.200000000000003 111.168 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -13.0 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.230000000000004 111.076 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -67.09 -16.26 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 63.530000000000001 110.969 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.35 -26.06 68.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 74.450000000000003 110.91 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -70.68 -27.26 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 72.310000000000002 110.858 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -51.99 -59.77 3.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.5 110.915 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.44 ' O ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -73.96 -17.53 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 64.319999999999993 111.102 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -19.06 60.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 75.409999999999997 110.864 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -73.58 -17.17 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 71.340000000000003 110.91 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 27' ' ' ILE . 9.4 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 72.439999999999998 111.173 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.883 0.373 . . . . 62.219999999999999 110.856 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.8 t -77.34 -40.11 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 111.141 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.8 tp -72.11 -16.44 62.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 61.210000000000001 110.938 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -18.86 22.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.219999999999999 110.878 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -28.18 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 74.430000000000007 110.891 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -91.14 -38.5 12.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 71.430000000000007 110.836 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -15.0 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 74.319999999999993 110.915 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -53.8 -38.23 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 64.230000000000004 110.87 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -70.68 -66.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 72.540000000000006 110.901 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.4 mt -48.6 -43.42 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 54.009999999999998 111.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -83.64 115.48 22.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 44.329999999999998 110.927 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -98.27 -2.68 38.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.120000000000005 110.938 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.05 26.93 0.25 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 61.049999999999997 112.523 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -113.67 99.72 7.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.805 0.336 . . . . 51.43 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -71.09 80.84 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 74.409999999999997 110.899 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -18.72 62.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 64.030000000000001 111.111 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.2 -26.5 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -18.67 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 71.25 111.13 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.47 -16.66 63.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 71.329999999999998 110.928 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.73 -31.17 72.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 75.519999999999996 110.845 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 ttt-85 -76.12 -29.16 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.439999999999998 110.865 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -53.19 -56.45 16.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.019999999999996 110.922 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 tt -67.23 -22.55 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 73.420000000000002 111.152 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -69.29 -21.14 63.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 65.329999999999998 110.869 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -83.82 -26.0 29.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 63.25 110.888 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.150000000000006 111.137 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.891 0.377 . . . . 42.200000000000003 110.835 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.3 t -78.71 -39.64 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.230000000000004 111.09 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.38 -16.35 63.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 63.530000000000001 110.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -21.31 22.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 71.450000000000003 110.9 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -61.16 -31.05 70.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.87 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.7 mtt-85 -92.76 -39.03 11.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 75.510000000000005 110.858 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -70.61 -14.54 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.310000000000002 110.926 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -36.51 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.420000000000002 110.917 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -71.05 -67.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 70.040000000000006 110.868 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mt -49.08 -43.57 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 64.510000000000005 111.151 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -83.65 115.54 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.040000000000006 110.856 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -98.47 -2.72 38.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.929 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.06 29.04 0.28 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 15.24 112.519 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.69 96.67 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 60.140000000000001 110.941 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -71.35 79.32 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 71.239999999999995 110.918 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -17.86 62.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 54.219999999999999 111.15 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.3 mt -54.8 -26.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 74.129999999999995 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.47 -18.78 20.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 62.130000000000003 111.094 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -17.08 62.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.409999999999997 110.914 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -64.86 -29.14 70.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 64.120000000000005 110.877 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -72.89 -28.43 62.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 65.299999999999997 110.862 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -53.0 -55.58 22.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.0 mt -68.22 -22.65 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 62.229999999999997 111.105 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -23.29 51.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.881 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -85.16 -25.84 27.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 71.420000000000002 110.927 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 73.129999999999995 111.13 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.861 0.362 . . . . 74.510000000000005 110.834 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.03 -46.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 61.329999999999998 111.129 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.418 HD13 ' NE ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.12 -24.53 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.049999999999997 110.907 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.4 mmt -72.79 -14.81 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 70.109999999999999 110.903 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -56.03 -25.78 46.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.868 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.418 ' NE ' HD13 ' A' ' 7' ' ' LEU . 15.8 ptp180 -86.82 -37.12 18.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.030000000000001 110.928 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -71.34 -18.01 62.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 63.25 110.952 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -57.34 -28.29 63.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 73.040000000000006 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -69.86 -66.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 60.539999999999999 110.915 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 tt -47.93 -42.62 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 111.191 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -84.06 113.55 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 72.219999999999999 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -99.93 -2.74 33.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.329999999999998 110.964 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.14 -96.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 45.43 112.511 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -102.98 152.67 21.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 73.200000000000003 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -70.46 120.76 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 51.539999999999999 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -71.78 -16.93 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.030000000000001 111.119 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.4 pt -54.38 -23.23 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 64.140000000000001 111.128 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.95 -12.01 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 75.400000000000006 111.072 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -15.09 62.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.510000000000005 110.927 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -61.62 -26.17 67.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 75.409999999999997 110.911 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -68.64 -26.49 65.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 72.219999999999999 110.891 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.06 -55.09 22.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 71.099999999999994 110.897 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.9 pt -72.41 -23.47 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 111.104 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -61.12 -22.69 64.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 65.310000000000002 110.896 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -77.62 -25.45 49.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 71.340000000000003 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 72.340000000000003 111.176 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.929 0.395 . . . . 74.219999999999999 110.911 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 7' ' ' LEU . 8.6 p -76.37 -40.34 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 73.450000000000003 111.127 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.414 ' N ' HG13 ' A' ' 6' ' ' VAL . 5.9 tp -73.45 -16.51 61.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 44.32 110.896 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -18.54 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.450000000000003 110.876 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -27.58 55.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 74.019999999999996 110.866 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -38.04 13.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 110.854 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -15.35 63.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 73.129999999999995 110.93 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -53.73 -38.49 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 74.140000000000001 110.881 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -70.43 -66.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 74.040000000000006 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mt -48.34 -43.15 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 64.209999999999994 111.138 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -83.49 114.98 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 72.439999999999998 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -98.89 -2.94 36.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.519999999999996 110.915 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.18 28.17 0.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 72.099999999999994 112.489 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -113.69 108.13 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 61.340000000000003 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -71.8 76.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 52.049999999999997 110.921 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.6 m -71.73 -21.46 61.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 64.010000000000005 111.156 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.7 mt -55.92 -24.55 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.450000000000003 111.184 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.19 -15.38 9.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 73.329999999999998 111.035 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -68.32 -16.54 63.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 60.350000000000001 110.93 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.04 -31.01 72.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 73.400000000000006 110.899 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -76.1 -27.01 56.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 110.895 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -52.67 -53.02 53.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 73.530000000000001 110.924 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.8 tp -70.52 -23.51 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.140000000000001 111.127 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -63.27 -22.71 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.439999999999998 110.883 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -78.54 -25.46 45.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 74.519999999999996 110.87 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 73.510000000000005 111.144 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.912 0.387 . . . . 74.329999999999998 110.905 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.33 -47.0 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 53.240000000000002 111.078 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 tp -78.79 -20.63 49.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 72.230000000000004 110.91 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -14.99 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 75.219999999999999 110.836 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -25.21 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 72.019999999999996 110.849 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -86.91 -38.04 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 52.219999999999999 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' HG3' HD11 ' A' ' 14' ' ' ILE . 6.9 tt0 -70.13 -17.65 63.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 70.409999999999997 110.879 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -26.55 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.933 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -68.52 -66.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.230000000000004 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.502 HD11 ' HG3' ' A' ' 11' ' ' GLN . 9.2 pt -47.84 -41.08 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 111.157 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -82.79 114.59 21.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 75.549999999999997 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -99.76 -3.64 32.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 74.140000000000001 110.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.62 16.5 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 44.219999999999999 112.491 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -114.77 119.26 36.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 74.510000000000005 110.901 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -70.22 96.87 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 62.539999999999999 110.904 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 p -71.51 -30.01 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 111.16 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.9 mt -56.98 -26.5 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 62.43 111.089 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.62 -13.02 11.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 70.450000000000003 111.065 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -68.18 -16.4 63.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 74.239999999999995 110.932 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -62.6 -28.94 70.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 75.239999999999995 110.841 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -70.35 -27.63 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.319999999999993 110.853 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.87 -52.55 57.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 65.439999999999998 110.925 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.401 ' O ' HG12 ' A' ' 30' ' ' VAL . 5.8 tp -69.65 -22.69 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 73.109999999999999 111.137 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -58.89 -21.05 56.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 63.420000000000002 110.872 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.42 -15.31 60.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 72.439999999999998 110.897 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 27' ' ' ILE . 7.4 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 111.068 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.929 0.395 . . . . 61.219999999999999 110.882 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -77.3 -39.38 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 65.329999999999998 111.165 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -15.24 63.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 73.349999999999994 110.917 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.524 ' CG ' HG23 ' A' ' 20' ' ' THR . 1.8 tmt? -55.05 -22.17 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.299999999999997 110.848 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -61.71 -32.33 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 71.230000000000004 110.887 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -93.78 -38.77 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 70.319999999999993 110.883 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -14.66 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 72.400000000000006 110.914 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -53.17 -38.85 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 110.921 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -71.2 -66.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 63.549999999999997 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.5 mt -48.22 -43.12 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 74.200000000000003 111.102 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -83.26 115.1 21.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 61.119999999999997 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -99.14 -2.8 36.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 72.109999999999999 110.922 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.87 31.42 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 73.120000000000005 112.493 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -113.71 103.38 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 63.539999999999999 110.922 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -72.77 70.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 54.43 110.926 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.524 HG23 ' CG ' ' A' ' 8' ' ' MET . 2.4 t -71.71 -17.76 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 111.133 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.412 HG23 ' HG3' ' A' ' 8' ' ' MET . 13.4 pt -55.35 -25.86 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.143 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 -15.56 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.530000000000001 111.06 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -68.63 -16.79 63.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 73.5 110.937 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -62.75 -31.48 72.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 62.240000000000002 110.889 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -76.87 -26.74 54.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 74.540000000000006 110.878 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -53.19 -58.97 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 62.200000000000003 110.959 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.9 tt -65.45 -23.39 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 60.119999999999997 111.17 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -65.4 -22.66 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 72.310000000000002 110.873 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -80.51 -25.42 38.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.129999999999995 110.886 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 111.12 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.922 0.391 . . . . 74.349999999999994 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.3 t -76.48 -40.49 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 54.200000000000003 111.141 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.85 -14.98 62.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 75.439999999999998 110.9 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.778 ' CE ' HG22 ' A' ' 21' ' ' ILE . 7.8 tmm? -55.94 -20.58 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 72.109999999999999 110.877 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -29.32 64.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 72.519999999999996 110.9 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -92.97 -38.6 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.349999999999994 110.871 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -69.92 -14.86 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 63.140000000000001 110.895 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -38.72 63.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 70.409999999999997 110.87 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -70.96 -66.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 44.530000000000001 110.907 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.1 mt -48.32 -43.07 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 111.152 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -83.15 115.12 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 62.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -99.06 -2.77 36.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 72.329999999999998 110.941 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.99 28.47 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 53.219999999999999 112.467 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -113.65 102.14 9.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 74.200000000000003 110.95 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -71.38 79.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 71.040000000000006 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -17.79 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.299999999999997 111.17 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.778 HG22 ' CE ' ' A' ' 8' ' ' MET . 15.7 pt -55.04 -26.9 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 71.319999999999993 111.18 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.31 -17.74 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 71.329999999999998 111.121 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -70.29 -16.51 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.109999999999999 110.893 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -31.27 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 74.019999999999996 110.909 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -76.89 -26.95 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 70.230000000000004 110.835 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.25 -56.08 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.340000000000003 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.45 ' O ' HG12 ' A' ' 30' ' ' VAL . 25.1 pt -64.04 -23.09 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 72.129999999999995 111.111 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -65.28 -17.11 64.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 74.200000000000003 110.928 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.71 -19.07 60.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.310000000000002 110.868 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 27' ' ' ILE . 9.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 111.121 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.885 0.374 . . . . 64.099999999999994 110.866 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.4 t -65.7 -45.33 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 73.209999999999994 111.141 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.98 -20.94 57.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 65.129999999999995 110.917 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.438 ' SD ' HG22 ' A' ' 21' ' ' ILE . 1.6 tmt? -59.75 -18.77 45.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 63.340000000000003 110.859 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.4 mmm-85 -60.21 -27.39 67.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 72.329999999999998 110.86 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -89.66 -41.74 11.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.209999999999994 110.862 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.692 ' NE2' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -72.4 -15.68 61.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 55.32 110.941 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -55.22 -26.84 42.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 63.030000000000001 110.873 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -69.95 -66.95 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 64.019999999999996 110.912 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tt -48.46 -43.75 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 111.132 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -84.82 113.4 21.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 64.310000000000002 110.873 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -102.03 -3.04 28.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 71.120000000000005 110.915 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.92 26.06 1.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 41.310000000000002 112.513 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -114.6 104.91 12.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.334 . . . . 75.340000000000003 110.875 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 p30 -73.4 65.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 71.510000000000005 110.902 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.692 HG21 ' NE2' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -71.81 -15.92 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 62.109999999999999 111.146 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.438 HG22 ' SD ' ' A' ' 8' ' ' MET . 2.4 pp -53.76 -25.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.519999999999996 111.148 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.22 -13.59 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.209999999999994 111.06 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -67.49 -16.66 64.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 71.400000000000006 110.933 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.34 -27.41 63.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 71.319999999999993 110.866 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -72.42 -29.89 64.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 75.409999999999997 110.816 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -53.08 -54.66 32.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.109999999999999 110.916 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.3 tt -63.93 -21.9 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 111.145 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -69.23 -21.39 63.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 71.329999999999998 110.926 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -83.83 -25.91 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 72.010000000000005 110.934 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 74.219999999999999 111.172 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.916 0.389 . . . . 70.349999999999994 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.1 -44.22 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 75.049999999999997 111.137 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.519 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.0 tt -76.16 -22.44 55.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.918 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -18.54 52.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 61.109999999999999 110.868 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -58.64 -28.13 65.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 54.039999999999999 110.884 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -39.59 13.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 43.009999999999998 110.888 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.53 -16.36 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 110.902 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -27.46 37.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.887 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -69.65 -65.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.219999999999999 110.895 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -48.14 -43.04 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 55.219999999999999 111.09 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -83.37 115.11 21.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 55.229999999999997 110.871 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -98.62 -2.78 37.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 75.099999999999994 110.898 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.43 26.52 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 70.140000000000001 112.499 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.69 104.87 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 70.299999999999997 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -72.13 74.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 65.329999999999998 110.866 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -71.91 -17.56 62.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 64.310000000000002 111.166 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.3 mt -54.7 -25.13 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 71.150000000000006 111.122 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -16.41 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.019999999999996 111.121 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -68.56 -16.75 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 71.519999999999996 110.97 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -70.93 -25.67 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 72.439999999999998 110.811 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -75.12 -28.49 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.420000000000002 110.86 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -53.29 -51.52 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.420000000000002 110.934 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.472 ' O ' HD13 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -68.35 -23.56 28.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 63.130000000000003 111.128 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -69.2 -23.09 63.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 70.239999999999995 110.891 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -84.47 -26.15 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 73.430000000000007 110.906 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 27' ' ' ILE . 9.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 72.400000000000006 111.092 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.896 0.379 . . . . 75.430000000000007 110.84 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.8 t -70.82 -42.55 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 75.150000000000006 111.125 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.96 -16.97 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 40.100000000000001 110.933 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -19.98 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 72.340000000000003 110.864 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -59.07 -29.61 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 72.400000000000006 110.856 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -91.36 -39.09 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.230000000000004 110.89 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.404 ' HA ' HG22 ' A' ' 14' ' ' ILE . 7.5 mm100 -70.78 -14.67 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 110.936 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -52.62 -36.23 56.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 61.549999999999997 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.13 -66.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.120000000000005 110.921 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.404 HG22 ' HA ' ' A' ' 11' ' ' GLN . 4.9 tp -48.67 -42.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 111.141 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -83.35 114.96 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 71.239999999999995 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -99.25 -3.01 35.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 61.210000000000001 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.94 43.65 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 63.539999999999999 112.471 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.69 120.18 39.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 74.299999999999997 110.891 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -73.54 63.64 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 61.240000000000002 110.907 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -71.62 -18.99 62.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 74.129999999999995 111.159 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.1 mt -56.52 -25.47 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 111.127 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.63 -20.01 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 71.209999999999994 111.084 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -73.4 -16.91 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.109999999999999 110.893 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -72.94 -30.88 64.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 61.340000000000003 110.852 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -76.86 -30.71 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 71.120000000000005 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.08 -57.29 10.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 75.040000000000006 110.912 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.3 tt -64.29 -23.5 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 74.430000000000007 111.099 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -67.59 -22.75 65.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 63.43 110.915 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -83.82 -25.44 30.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 75.219999999999999 110.875 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 72.25 111.17 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.913 0.387 . . . . 73.209999999999994 110.816 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.9 t -78.7 -39.54 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 60.100000000000001 111.095 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.3 tp -68.05 -16.4 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 62.450000000000003 110.959 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -21.49 22.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 75.140000000000001 110.889 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -61.47 -31.28 71.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 70.340000000000003 110.842 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -93.0 -38.65 11.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 61.32 110.865 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.19 -14.77 62.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.209999999999994 110.957 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -53.01 -36.24 60.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 65.230000000000004 110.897 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -71.15 -66.9 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 75.349999999999994 110.905 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.0 mt -49.08 -43.45 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.128 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -83.52 115.23 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 53.350000000000001 110.914 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -98.83 -2.86 36.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 75.439999999999998 110.906 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.38 27.63 0.25 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 72.099999999999994 112.481 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.67 99.19 7.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 70.239999999999995 110.866 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -71.27 79.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 73.319999999999993 110.887 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -17.54 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 64.349999999999994 111.143 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -54.64 -25.73 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.409999999999997 111.144 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.42 -17.89 15.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 74.299999999999997 111.119 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -69.49 -16.88 63.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 72.219999999999999 110.886 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.32 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 65.030000000000001 110.905 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -75.59 -26.01 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 72.219999999999999 110.891 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -54.87 -52.13 63.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.230000000000004 110.91 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.521 ' O ' HG12 ' A' ' 30' ' ' VAL . 2.5 mp -74.15 -25.45 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 70.150000000000006 111.109 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -58.99 -19.57 44.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 110.905 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -84.81 -25.28 28.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.540000000000006 110.905 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 27' ' ' ILE . 2.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 73.310000000000002 111.153 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.368 . . . . 72.049999999999997 110.858 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.7 t -76.77 -39.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 75.430000000000007 111.083 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.2 tp -70.84 -15.26 62.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 55.420000000000002 110.948 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -55.73 -21.05 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.857 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -60.13 -30.74 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 75.329999999999998 110.873 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -94.11 -38.3 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 63.5 110.873 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -13.87 62.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 72.5 110.922 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -51.68 -32.46 29.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.129999999999995 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -71.22 -66.75 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 62.509999999999998 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mm -49.26 -41.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 62.549999999999997 111.135 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.477 HD22 ' N ' ' A' ' 15' ' ' ASN . 1.3 m-80 -71.45 114.0 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 70.420000000000002 110.864 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -100.31 -3.51 31.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 71.409999999999997 110.928 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.59 31.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 70.420000000000002 112.471 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -113.97 112.58 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 73.219999999999999 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -70.52 85.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 70.349999999999994 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.658 HG22 ' HE2' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -71.74 -18.61 62.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 51.5 111.141 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.5 pt -56.13 -27.05 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.420000000000002 111.137 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -18.11 17.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.120000000000005 111.099 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.658 ' HE2' HG22 ' A' ' 20' ' ' THR . 25.3 m-85 -71.87 -16.16 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 73.430000000000007 110.927 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.81 -26.1 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 65.030000000000001 110.877 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -72.59 -26.78 61.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.409999999999997 110.883 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -53.37 -49.91 66.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 53.240000000000002 110.917 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.5 tt -73.6 -23.42 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 73.209999999999994 111.099 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -68.75 -22.72 64.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 62.310000000000002 110.896 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -83.83 -25.4 30.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 73.319999999999993 110.898 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 75.439999999999998 111.153 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.895 0.378 . . . . 72.510000000000005 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.79 -45.83 93.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 65.349999999999994 111.121 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 tp -77.31 -20.07 55.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.895 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.4 mmt -60.78 -15.56 31.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 51.299999999999997 110.899 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -25.59 23.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 62.43 110.855 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -37.72 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.855 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -69.58 -16.49 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 70.340000000000003 110.876 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -55.44 -34.31 64.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 72.439999999999998 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.7 -65.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 70.510000000000005 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.2 tt -47.77 -42.36 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 50.039999999999999 111.13 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -83.49 114.72 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.530000000000001 110.903 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.86 -2.99 36.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.150000000000006 110.964 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.07 22.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 33.530000000000001 112.468 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.55 109.84 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 74.439999999999998 110.915 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -70.37 84.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 73.209999999999994 110.901 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -71.24 -18.87 62.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 54.130000000000003 111.114 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pp -55.69 -25.46 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 72.109999999999999 111.124 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.16 -17.58 11.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 64.219999999999999 111.138 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.59 -16.66 63.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.040000000000006 110.961 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.45 -25.73 62.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 62.229999999999997 110.895 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.54 -29.16 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.299999999999997 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -53.28 -58.47 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 64.040000000000006 110.905 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tt -64.46 -22.63 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 74.109999999999999 111.127 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -66.37 -22.7 66.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.865 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.79 -25.36 30.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.918 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 72.109999999999999 111.098 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.888 0.375 . . . . 74.25 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p -148.63 -179.53 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 63.520000000000003 111.145 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.56 93.28 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 71.310000000000002 110.878 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.595 ' O ' ' N ' ' A' ' 7' ' ' LEU . 13.6 mm-40 -74.25 -74.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 65.129999999999995 110.891 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -30.74 -40.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 71.530000000000001 110.843 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 4' ' ' GLU . 85.4 t -64.53 -45.97 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 73.200000000000003 111.099 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.595 ' N ' ' O ' ' A' ' 4' ' ' GLU . 50.4 tp -76.17 -24.31 54.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 63.229999999999997 110.915 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.6 mmt -71.86 -16.07 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.349999999999994 110.873 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -57.5 -26.13 60.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 70.230000000000004 110.87 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -87.24 -41.17 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.558 ' OE1' HD13 ' A' ' 14' ' ' ILE . 9.2 tp-100 -73.03 -18.19 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.430000000000007 110.884 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -25.57 56.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 61.039999999999999 110.907 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -57.85 -63.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 70.400000000000006 110.909 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.558 HD13 ' OE1' ' A' ' 11' ' ' GLN . 3.7 mp -46.79 -41.23 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 64.010000000000005 111.13 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.68 115.87 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 62.420000000000002 110.872 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -97.85 -2.73 40.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 72.319999999999993 110.899 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.08 17.7 0.62 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 71.030000000000001 112.468 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -114.67 107.74 15.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 64.140000000000001 110.867 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -70.73 88.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 74.109999999999999 110.881 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.5 p -71.5 -19.15 62.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 74.349999999999994 111.095 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.96 -26.73 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 72.420000000000002 111.131 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.73 -11.81 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 33.329999999999998 111.077 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.91 -15.61 63.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 75.219999999999999 110.887 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -30.61 71.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 62.109999999999999 110.872 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 ttp85 -66.91 -27.03 67.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 74.010000000000005 110.892 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.35 -54.31 38.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 64.310000000000002 110.918 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 30' ' ' VAL . 5.9 tp -73.69 -23.84 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 75.129999999999995 111.141 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -64.1 -15.66 60.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 55.140000000000001 110.93 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -83.3 -15.41 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.120000000000005 110.908 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 27' ' ' ILE . 9.2 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 63.43 111.138 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.897 0.38 . . . . 55.549999999999997 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.612 HG22 HD13 ' A' ' 27' ' ' ILE . 14.8 t -58.52 170.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 71.450000000000003 111.171 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.65 120.93 5.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 53.210000000000001 110.836 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.595 ' O ' ' N ' ' A' ' 7' ' ' LEU . 79.8 mm-40 -126.81 -75.03 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 64.319999999999993 110.85 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.8 -40.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 73.420000000000002 110.87 -179.776 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.502 HG13 HD12 ' A' ' 7' ' ' LEU . 7.4 p -65.12 -45.12 95.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 51.140000000000001 111.092 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.595 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -76.64 -23.3 53.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 61.240000000000002 110.931 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.4 mmt -72.49 -16.49 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.439999999999998 110.886 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -58.01 -26.73 62.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.200000000000003 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -87.73 -41.15 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.299999999999997 110.875 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -72.74 -17.84 61.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 75.239999999999995 110.875 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -26.11 55.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 70.219999999999999 110.892 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -59.02 -64.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 74.230000000000004 110.88 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.2 mt -47.11 -41.54 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 72.530000000000001 111.115 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -79.73 116.07 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 53.219999999999999 110.926 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -96.94 -2.73 43.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 63.039999999999999 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.83 18.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 61.219999999999999 112.497 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.42 101.91 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 75.209999999999994 110.887 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -70.74 84.5 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.5 110.857 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 p -71.47 -18.76 62.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 64.129999999999995 111.12 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 pt -55.85 -26.34 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 72.450000000000003 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.34 -11.84 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 61.240000000000002 111.1 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -66.62 -16.27 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 61.119999999999997 110.916 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -63.46 -26.01 68.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 71.200000000000003 110.886 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -67.81 -26.33 66.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 60.530000000000001 110.888 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.96 -52.37 50.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.319999999999993 110.94 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.612 HD13 HG22 ' A' ' 2' ' ' THR . 5.8 tp -72.06 -22.67 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 63.229999999999997 111.134 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -58.77 -21.26 55.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 55.020000000000003 110.885 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -75.05 -15.42 60.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 73.409999999999997 110.914 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 73.450000000000003 111.1 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.97 0.414 . . . . 55.420000000000002 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.78 20.97 17.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 30.23 111.126 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -174.12 138.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 72.409999999999997 110.893 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.596 ' O ' ' N ' ' A' ' 7' ' ' LEU . 2.6 mp0 -77.07 -74.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 75.439999999999998 110.874 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -29.73 -40.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 71.349999999999994 110.825 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 4' ' ' GLU . 67.5 t -64.19 -46.99 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 72.129999999999995 111.161 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.596 ' N ' ' O ' ' A' ' 4' ' ' GLU . 13.8 tp -76.97 -23.91 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 71.239999999999995 110.961 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 mmt -70.5 -16.84 62.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 53.399999999999999 110.899 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -57.6 -27.24 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 64.540000000000006 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -88.64 -39.44 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 62.240000000000002 110.89 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -71.41 -18.33 62.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.209999999999994 110.874 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -29.66 62.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.530000000000001 110.909 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -69.37 -64.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.109999999999999 110.907 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mm -47.04 -43.31 6.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 63.350000000000001 111.141 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.99 113.06 20.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 62.25 110.927 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -100.74 -2.92 31.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 61.25 110.879 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.11 -87.18 1.09 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 62.329999999999998 112.527 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -102.82 135.23 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 75.030000000000001 110.859 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -70.73 121.18 17.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 72.420000000000002 110.88 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 p -71.35 -15.96 62.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 73.150000000000006 111.132 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 pt -53.9 -23.28 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.109999999999999 111.138 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.45 -12.1 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.540000000000006 111.105 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.75 -14.66 59.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 62.140000000000001 110.935 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -60.82 -22.16 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 73.319999999999993 110.884 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -72.27 -27.34 62.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 74.340000000000003 110.901 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -53.19 -58.44 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.936 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 tp -73.4 -23.42 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 72.129999999999995 111.143 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -64.87 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 71.140000000000001 110.886 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -83.21 -25.48 31.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.420000000000002 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 62.140000000000001 111.131 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.904 0.383 . . . . 72.549999999999997 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.4 p -69.74 110.27 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 72.239999999999995 111.159 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -176.93 115.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 72.340000000000003 110.91 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 55.4 mp0 -71.49 -74.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 65.219999999999999 110.877 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -31.12 -40.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 73.319999999999993 110.861 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 4' ' ' GLU . 88.3 t -63.9 -46.14 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 71.510000000000005 111.176 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -76.25 -24.58 54.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 64.209999999999994 110.885 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -72.49 -15.68 61.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.219999999999999 110.859 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -57.26 -25.41 59.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 55.119999999999997 110.868 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -87.04 -40.66 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 71.209999999999994 110.848 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -72.65 -18.57 61.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.049999999999997 110.96 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.56 ' HA ' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -57.27 -25.67 59.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 70.340000000000003 110.907 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.84 -63.08 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.7 mp -46.16 -41.11 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 50.200000000000003 111.141 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -81.26 115.54 20.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.219999999999999 110.856 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -97.35 -2.76 41.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 72.030000000000001 110.958 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.09 17.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 65.109999999999999 112.513 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 118.56 34.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 63.310000000000002 110.915 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 2.8 p30 -70.59 87.86 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.099999999999994 110.869 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.56 HG21 ' HA ' ' A' ' 12' ' ' LYS . 30.5 p -71.36 -29.64 65.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 62.100000000000001 111.162 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.8 pt -56.56 -23.98 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 42.210000000000001 111.162 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -12.22 3.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 42.32 111.062 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.64 -15.99 63.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 74.120000000000005 110.91 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -63.67 -21.09 66.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 74.209999999999994 110.857 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -66.24 -25.6 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 73.040000000000006 110.873 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.89 -59.88 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 65.450000000000003 110.919 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.7 mt -73.73 -23.56 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 71.129999999999995 111.156 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -57.79 -23.19 51.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 72.030000000000001 110.881 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -85.12 -25.76 27.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 75.219999999999999 110.889 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 34.200000000000003 111.126 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.968 0.414 . . . . 64.0 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p -88.18 142.6 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 61.539999999999999 111.2 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.91 62.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 73.040000000000006 110.867 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.632 ' O ' ' N ' ' A' ' 7' ' ' LEU . 9.4 mm-40 -54.68 -71.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.439999999999998 110.858 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -31.23 -40.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.010000000000005 110.858 -179.757 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' GLU . 65.2 t -77.18 -39.43 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 72.519999999999996 111.144 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.632 ' N ' ' O ' ' A' ' 4' ' ' GLU . 5.4 tp -71.59 -17.06 62.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 61.399999999999999 110.909 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -20.63 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 61.149999999999999 110.873 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -60.46 -29.86 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 74.239999999999995 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -91.86 -38.24 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 70.129999999999995 110.86 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -14.22 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 65.409999999999997 110.903 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -52.43 -35.92 53.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 63.439999999999998 110.867 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.8 -66.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 53.240000000000002 110.942 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mt -49.1 -42.73 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 61.5 111.162 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -83.08 115.64 21.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 62.43 110.908 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -99.21 -2.77 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 73.5 110.924 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.99 32.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 32.509999999999998 112.447 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -114.03 105.98 13.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 64.340000000000003 110.936 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -71.56 77.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 64.040000000000006 110.875 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.643 HG22 ' HE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -71.83 -17.91 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 75.319999999999993 111.122 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.475 HD12 ' H ' ' A' ' 21' ' ' ILE . 3.8 mp -55.17 -27.33 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 71.540000000000006 111.169 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.0 -17.15 15.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 70.340000000000003 111.109 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.643 ' HE2' HG22 ' A' ' 20' ' ' THR . 17.7 m-85 -69.43 -16.99 63.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 60.539999999999999 110.938 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -65.72 -29.4 69.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 61.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -73.43 -28.59 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 75.299999999999997 110.902 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.91 -49.82 65.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 72.549999999999997 110.885 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.417 ' HA ' HG12 ' A' ' 30' ' ' VAL . 82.2 mt -72.83 -20.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.310000000000002 111.108 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -57.77 -22.76 48.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 110.89 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -84.89 -26.55 27.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 74.329999999999998 110.825 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 27' ' ' ILE . 6.0 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.519999999999996 111.173 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.967 0.413 . . . . 72.450000000000003 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.69 19.83 19.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 64.030000000000001 111.161 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -121.45 87.42 2.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 74.540000000000006 110.871 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.614 ' O ' ' N ' ' A' ' 7' ' ' LEU . 5.6 mm-40 -117.16 -73.96 0.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 65.25 110.887 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -31.58 -40.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 63.329999999999998 110.885 -179.806 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' GLU . 7.1 p -74.07 -40.71 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 75.129999999999995 111.138 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' A' ' 4' ' ' GLU . 1.4 mm? -72.82 -17.33 61.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 70.439999999999998 110.896 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -57.43 -20.39 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.549999999999997 110.891 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -60.27 -29.97 69.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.834 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -91.31 -38.61 12.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.030000000000001 110.846 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -70.13 -15.34 62.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 50.210000000000001 110.891 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -55.66 -33.8 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 64.010000000000005 110.928 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -71.03 -69.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.230000000000004 110.896 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.428 HD12 ' CG ' ' A' ' 15' ' ' ASN . 1.3 pp -49.31 -41.41 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 75.239999999999995 111.161 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.428 ' CG ' HD12 ' A' ' 14' ' ' ILE . 27.7 m120 -82.92 115.17 21.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 75.420000000000002 110.853 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -99.04 -2.93 35.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.230000000000004 110.917 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.52 31.6 0.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 72.439999999999998 112.494 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.79 103.25 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 72.519999999999996 110.882 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -72.45 72.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 74.329999999999998 110.909 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.467 HG22 ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -71.91 -17.75 62.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 65.129999999999995 111.157 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.4 mt -55.16 -26.39 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 73.019999999999996 111.127 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.7 -16.94 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 64.340000000000003 111.057 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.467 ' CD2' HG22 ' A' ' 20' ' ' THR . 7.9 m-85 -69.3 -16.8 63.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 110.905 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.92 -28.86 64.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 72.450000000000003 110.907 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -71.77 -31.02 66.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 64.209999999999994 110.856 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -52.74 -50.42 63.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.936 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.6 tt -70.6 -23.47 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 72.420000000000002 111.11 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -61.26 -22.77 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.209999999999994 110.824 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -76.97 -25.39 52.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 61.43 110.906 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 63.109999999999999 111.125 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.888 0.375 . . . . 72.329999999999998 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 p -132.93 108.56 9.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 73.450000000000003 111.166 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -149.2 123.62 9.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.230000000000004 110.873 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.586 ' O ' ' N ' ' A' ' 7' ' ' LEU . 59.4 mp0 -63.54 -75.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.349999999999994 110.865 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.22 -40.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 31.440000000000001 110.823 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 4' ' ' GLU . 61.2 t -64.59 -46.45 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 62.25 111.105 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -76.62 -24.18 53.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 74.450000000000003 110.944 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.0 mmt -70.67 -16.71 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 75.040000000000006 110.849 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -57.64 -26.39 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 62.119999999999997 110.869 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -87.49 -39.71 14.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.109999999999999 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -71.7 -17.08 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -55.52 -26.38 42.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.909 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.66 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.943 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mp -47.47 -42.45 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 54.329999999999998 111.13 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -82.67 115.36 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 43.119999999999997 110.908 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -97.57 -2.67 41.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.906 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.59 16.35 0.96 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 63.009999999999998 112.465 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -113.96 100.35 8.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.801 0.334 . . . . 74.400000000000006 110.878 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -71.03 81.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 62.509999999999998 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 p -71.44 -19.36 62.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.169 -0.469 . . . . 74.120000000000005 111.163 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.1 pt -56.29 -25.79 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 61.200000000000003 111.168 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -13.0 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.230000000000004 111.076 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -67.09 -16.26 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 63.530000000000001 110.969 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.35 -26.06 68.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 74.450000000000003 110.91 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -70.68 -27.26 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 72.310000000000002 110.858 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -51.99 -59.77 3.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.5 110.915 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.44 ' O ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -73.96 -17.53 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 64.319999999999993 111.102 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -19.06 60.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 75.409999999999997 110.864 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -73.58 -17.17 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 71.340000000000003 110.91 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 27' ' ' ILE . 9.4 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 72.439999999999998 111.173 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.918 0.39 . . . . 70.120000000000005 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.9 p -143.32 147.58 34.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 52.409999999999997 111.177 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -131.18 106.88 8.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 110.881 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.614 ' O ' ' N ' ' A' ' 7' ' ' LEU . 57.4 mp0 -96.04 -75.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 72.219999999999999 110.872 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -30.73 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 62.219999999999999 110.856 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 4' ' ' GLU . 38.8 t -77.34 -40.11 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 111.141 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' A' ' 4' ' ' GLU . 68.8 tp -72.11 -16.44 62.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 61.210000000000001 110.938 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -18.86 22.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.219999999999999 110.878 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -28.18 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 74.430000000000007 110.891 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -91.14 -38.5 12.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 71.430000000000007 110.836 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -15.0 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 74.319999999999993 110.915 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -53.8 -38.23 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 64.230000000000004 110.87 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -70.68 -66.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 72.540000000000006 110.901 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.4 mt -48.6 -43.42 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 54.009999999999998 111.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -83.64 115.48 22.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 44.329999999999998 110.927 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -98.27 -2.68 38.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.120000000000005 110.938 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.05 26.93 0.25 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 61.049999999999997 112.523 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -113.67 99.72 7.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.805 0.336 . . . . 51.43 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -71.09 80.84 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 74.409999999999997 110.899 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -18.72 62.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 64.030000000000001 111.111 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.2 -26.5 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -18.67 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 71.25 111.13 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.47 -16.66 63.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 71.329999999999998 110.928 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.73 -31.17 72.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 75.519999999999996 110.845 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 ttt-85 -76.12 -29.16 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.439999999999998 110.865 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -53.19 -56.45 16.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.019999999999996 110.922 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 tt -67.23 -22.55 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 73.420000000000002 111.152 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -69.29 -21.14 63.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 65.329999999999998 110.869 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -83.82 -26.0 29.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 63.25 110.888 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.150000000000006 111.137 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.911 0.386 . . . . 74.099999999999994 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.01 27.44 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 54.43 111.14 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 54.68 42.57 31.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 65.099999999999994 110.867 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 7' ' ' LEU . 2.8 mt-10 -67.17 -74.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 72.450000000000003 110.916 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -30.61 -42.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 42.200000000000003 110.835 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 4' ' ' GLU . 26.3 t -78.71 -39.64 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.230000000000004 111.09 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' A' ' 4' ' ' GLU . 58.0 tp -68.38 -16.35 63.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 63.530000000000001 110.936 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -21.31 22.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 71.450000000000003 110.9 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -61.16 -31.05 70.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.87 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.7 mtt-85 -92.76 -39.03 11.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 75.510000000000005 110.858 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -70.61 -14.54 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.310000000000002 110.926 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -36.51 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.420000000000002 110.917 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -71.05 -67.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 70.040000000000006 110.868 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mt -49.08 -43.57 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 64.510000000000005 111.151 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -83.65 115.54 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.040000000000006 110.856 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -98.47 -2.72 38.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.929 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.06 29.04 0.28 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 15.24 112.519 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.69 96.67 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 60.140000000000001 110.941 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -71.35 79.32 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 71.239999999999995 110.918 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -17.86 62.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 54.219999999999999 111.15 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.3 mt -54.8 -26.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 74.129999999999995 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.47 -18.78 20.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 62.130000000000003 111.094 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -17.08 62.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.409999999999997 110.914 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -64.86 -29.14 70.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 64.120000000000005 110.877 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -72.89 -28.43 62.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 65.299999999999997 110.862 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -53.0 -55.58 22.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.0 mt -68.22 -22.65 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 62.229999999999997 111.105 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -23.29 51.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.881 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -85.16 -25.84 27.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 71.420000000000002 110.927 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 73.129999999999995 111.13 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.896 0.379 . . . . 74.340000000000003 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.0 p -151.52 130.69 12.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 75.409999999999997 111.116 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -146.16 123.82 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 64.219999999999999 110.899 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.594 ' O ' ' N ' ' A' ' 7' ' ' LEU . 13.1 mp0 -90.89 -74.7 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 71.430000000000007 110.856 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.482 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -30.01 -40.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 74.510000000000005 110.834 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 4' ' ' GLU . 61.5 t -64.03 -46.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 61.329999999999998 111.129 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -77.12 -24.53 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.049999999999997 110.907 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.4 mmt -72.79 -14.81 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 70.109999999999999 110.903 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -56.03 -25.78 46.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.868 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.418 ' NE ' HD13 ' A' ' 7' ' ' LEU . 15.8 ptp180 -86.82 -37.12 18.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.030000000000001 110.928 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -71.34 -18.01 62.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 63.25 110.952 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -57.34 -28.29 63.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 73.040000000000006 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -69.86 -66.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 60.539999999999999 110.915 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 tt -47.93 -42.62 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 111.191 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -84.06 113.55 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 72.219999999999999 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -99.93 -2.74 33.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.329999999999998 110.964 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.14 -96.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 45.43 112.511 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -102.98 152.67 21.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 73.200000000000003 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -70.46 120.76 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 51.539999999999999 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -71.78 -16.93 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.030000000000001 111.119 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.4 pt -54.38 -23.23 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 64.140000000000001 111.128 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.95 -12.01 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 75.400000000000006 111.072 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -15.09 62.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.510000000000005 110.927 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -61.62 -26.17 67.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 75.409999999999997 110.911 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -68.64 -26.49 65.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 72.219999999999999 110.891 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.06 -55.09 22.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 71.099999999999994 110.897 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.9 pt -72.41 -23.47 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 111.104 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -61.12 -22.69 64.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 65.310000000000002 110.896 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -77.62 -25.45 49.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 71.340000000000003 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 72.340000000000003 111.176 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.943 0.401 . . . . 74.25 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -167.22 138.25 3.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 74.430000000000007 111.134 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.52 125.09 14.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 75.239999999999995 110.878 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.618 ' O ' ' N ' ' A' ' 7' ' ' LEU . 20.0 mm-40 -117.03 -72.02 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 73.319999999999993 110.858 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -31.23 -40.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 110.911 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 4' ' ' GLU . 8.6 p -76.37 -40.34 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 73.450000000000003 111.127 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 4' ' ' GLU . 5.9 tp -73.45 -16.51 61.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 44.32 110.896 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -18.54 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.450000000000003 110.876 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -27.58 55.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 74.019999999999996 110.866 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -38.04 13.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 110.854 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -15.35 63.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 73.129999999999995 110.93 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -53.73 -38.49 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 74.140000000000001 110.881 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -70.43 -66.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 74.040000000000006 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mt -48.34 -43.15 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 64.209999999999994 111.138 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -83.49 114.98 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 72.439999999999998 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -98.89 -2.94 36.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.519999999999996 110.915 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.18 28.17 0.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 72.099999999999994 112.489 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -113.69 108.13 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 61.340000000000003 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -71.8 76.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 52.049999999999997 110.921 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.6 m -71.73 -21.46 61.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 64.010000000000005 111.156 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.7 mt -55.92 -24.55 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.450000000000003 111.184 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.19 -15.38 9.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 73.329999999999998 111.035 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -68.32 -16.54 63.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 60.350000000000001 110.93 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.04 -31.01 72.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 73.400000000000006 110.899 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -76.1 -27.01 56.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 110.895 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -52.67 -53.02 53.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 73.530000000000001 110.924 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.8 tp -70.52 -23.51 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.140000000000001 111.127 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -63.27 -22.71 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.439999999999998 110.883 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -78.54 -25.46 45.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 74.519999999999996 110.87 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 73.510000000000005 111.144 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.908 0.385 . . . . 74.439999999999998 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -137.98 27.43 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 50.25 111.149 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -146.22 112.87 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 71.209999999999994 110.831 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.562 ' O ' ' N ' ' A' ' 7' ' ' LEU . 54.9 mp0 -87.08 -75.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 31.34 110.863 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -31.09 -39.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 74.329999999999998 110.905 -179.771 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 4' ' ' GLU . 58.8 t -63.33 -47.0 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 53.240000000000002 111.078 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 4' ' ' GLU . 7.7 tp -78.79 -20.63 49.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 72.230000000000004 110.91 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -14.99 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 75.219999999999999 110.836 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -25.21 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 72.019999999999996 110.849 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -86.91 -38.04 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 52.219999999999999 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' HG3' HD11 ' A' ' 14' ' ' ILE . 6.9 tt0 -70.13 -17.65 63.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 70.409999999999997 110.879 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -26.55 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.933 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -68.52 -66.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.230000000000004 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.502 HD11 ' HG3' ' A' ' 11' ' ' GLN . 9.2 pt -47.84 -41.08 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 111.157 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -82.79 114.59 21.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 75.549999999999997 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -99.76 -3.64 32.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 74.140000000000001 110.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.62 16.5 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 44.219999999999999 112.491 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -114.77 119.26 36.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 74.510000000000005 110.901 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -70.22 96.87 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 62.539999999999999 110.904 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 p -71.51 -30.01 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 111.16 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.9 mt -56.98 -26.5 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 62.43 111.089 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.62 -13.02 11.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 70.450000000000003 111.065 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -68.18 -16.4 63.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 74.239999999999995 110.932 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -62.6 -28.94 70.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 75.239999999999995 110.841 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -70.35 -27.63 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.319999999999993 110.853 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.87 -52.55 57.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 65.439999999999998 110.925 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.401 ' O ' HG12 ' A' ' 30' ' ' VAL . 5.8 tp -69.65 -22.69 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 73.109999999999999 111.137 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -58.89 -21.05 56.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 63.420000000000002 110.872 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.42 -15.31 60.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 72.439999999999998 110.897 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 27' ' ' ILE . 7.4 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 111.068 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.921 0.391 . . . . 75.209999999999994 110.89 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.8 p -93.17 155.91 17.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 111.173 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -175.72 136.22 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 72.040000000000006 110.889 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.62 ' O ' ' N ' ' A' ' 7' ' ' LEU . 14.1 mm-40 -115.42 -61.24 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 72.430000000000007 110.898 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.95 -41.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 61.219999999999999 110.882 -179.786 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' GLU . 7.8 p -77.3 -39.38 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 65.329999999999998 111.165 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.62 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -69.26 -15.24 63.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 73.349999999999994 110.917 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.524 ' CG ' HG23 ' A' ' 20' ' ' THR . 1.8 tmt? -55.05 -22.17 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.299999999999997 110.848 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -61.71 -32.33 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 71.230000000000004 110.887 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -93.78 -38.77 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 70.319999999999993 110.883 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -14.66 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 72.400000000000006 110.914 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -53.17 -38.85 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 110.921 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -71.2 -66.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 63.549999999999997 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.5 mt -48.22 -43.12 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 74.200000000000003 111.102 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -83.26 115.1 21.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 61.119999999999997 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -99.14 -2.8 36.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 72.109999999999999 110.922 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.87 31.42 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 73.120000000000005 112.493 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -113.71 103.38 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 63.539999999999999 110.922 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -72.77 70.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 54.43 110.926 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.524 HG23 ' CG ' ' A' ' 8' ' ' MET . 2.4 t -71.71 -17.76 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 111.133 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.412 HG23 ' HG3' ' A' ' 8' ' ' MET . 13.4 pt -55.35 -25.86 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.143 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 -15.56 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.530000000000001 111.06 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -68.63 -16.79 63.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 73.5 110.937 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -62.75 -31.48 72.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 62.240000000000002 110.889 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -76.87 -26.74 54.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 74.540000000000006 110.878 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -53.19 -58.97 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 62.200000000000003 110.959 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.9 tt -65.45 -23.39 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 60.119999999999997 111.17 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -65.4 -22.66 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 72.310000000000002 110.873 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -80.51 -25.42 38.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.129999999999995 110.886 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 111.12 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.927 0.394 . . . . 74.219999999999999 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.6 p -52.4 168.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 50.439999999999998 111.146 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.55 138.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 61.219999999999999 110.874 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.626 ' O ' ' N ' ' A' ' 7' ' ' LEU . 16.1 mp0 -128.21 -63.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 73.409999999999997 110.905 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.88 -40.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 110.907 -179.78 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 4' ' ' GLU . 92.3 t -76.48 -40.49 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 54.200000000000003 111.141 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.626 ' N ' ' O ' ' A' ' 4' ' ' GLU . 53.7 mt -71.85 -14.98 62.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 75.439999999999998 110.9 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.778 ' CE ' HG22 ' A' ' 21' ' ' ILE . 7.8 tmm? -55.94 -20.58 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 72.109999999999999 110.877 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -29.32 64.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 72.519999999999996 110.9 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -92.97 -38.6 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.349999999999994 110.871 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -69.92 -14.86 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 63.140000000000001 110.895 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -38.72 63.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 70.409999999999997 110.87 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -70.96 -66.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 44.530000000000001 110.907 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.1 mt -48.32 -43.07 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 111.152 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -83.15 115.12 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 62.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -99.06 -2.77 36.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 72.329999999999998 110.941 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.99 28.47 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 53.219999999999999 112.467 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -113.65 102.14 9.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 74.200000000000003 110.95 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -71.38 79.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 71.040000000000006 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -17.79 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.299999999999997 111.17 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.778 HG22 ' CE ' ' A' ' 8' ' ' MET . 15.7 pt -55.04 -26.9 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 71.319999999999993 111.18 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.31 -17.74 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 71.329999999999998 111.121 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -70.29 -16.51 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.109999999999999 110.893 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -31.27 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 74.019999999999996 110.909 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -76.89 -26.95 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 70.230000000000004 110.835 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.25 -56.08 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.340000000000003 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.45 ' O ' HG12 ' A' ' 30' ' ' VAL . 25.1 pt -64.04 -23.09 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 72.129999999999995 111.111 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -65.28 -17.11 64.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 74.200000000000003 110.928 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.71 -19.07 60.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.310000000000002 110.868 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 27' ' ' ILE . 9.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 111.121 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.967 0.413 . . . . 64.140000000000001 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.7 p -59.56 -179.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 51.549999999999997 111.123 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 62.61 37.07 13.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 72.109999999999999 110.873 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.591 ' O ' ' N ' ' A' ' 7' ' ' LEU . 58.2 mp0 -58.55 -74.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 62.119999999999997 110.893 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -30.71 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 64.099999999999994 110.866 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' GLU . 44.4 t -65.7 -45.33 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 73.209999999999994 111.141 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -75.98 -20.94 57.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 65.129999999999995 110.917 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.438 ' SD ' HG22 ' A' ' 21' ' ' ILE . 1.6 tmt? -59.75 -18.77 45.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 63.340000000000003 110.859 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.4 mmm-85 -60.21 -27.39 67.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 72.329999999999998 110.86 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -89.66 -41.74 11.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.209999999999994 110.862 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.692 ' NE2' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -72.4 -15.68 61.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 55.32 110.941 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -55.22 -26.84 42.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 63.030000000000001 110.873 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -69.95 -66.95 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 64.019999999999996 110.912 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tt -48.46 -43.75 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 111.132 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -84.82 113.4 21.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 64.310000000000002 110.873 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -102.03 -3.04 28.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 71.120000000000005 110.915 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.92 26.06 1.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 41.310000000000002 112.513 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -114.6 104.91 12.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.334 . . . . 75.340000000000003 110.875 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 p30 -73.4 65.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 71.510000000000005 110.902 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.692 HG21 ' NE2' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -71.81 -15.92 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 62.109999999999999 111.146 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.438 HG22 ' SD ' ' A' ' 8' ' ' MET . 2.4 pp -53.76 -25.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.519999999999996 111.148 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.22 -13.59 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.209999999999994 111.06 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -67.49 -16.66 64.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 71.400000000000006 110.933 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.34 -27.41 63.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 71.319999999999993 110.866 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -72.42 -29.89 64.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 75.409999999999997 110.816 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -53.08 -54.66 32.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.109999999999999 110.916 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.3 tt -63.93 -21.9 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 111.145 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -69.23 -21.39 63.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 71.329999999999998 110.926 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -83.83 -25.91 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 72.010000000000005 110.934 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 74.219999999999999 111.172 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.933 0.396 . . . . 62.32 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 p -138.95 -173.22 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 72.430000000000007 111.161 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -173.26 137.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 64.510000000000005 110.885 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.61 ' O ' ' N ' ' A' ' 7' ' ' LEU . 19.9 mp0 -86.79 -71.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.209999999999994 110.898 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -31.18 -39.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 70.349999999999994 110.891 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' GLU . 49.1 t -68.1 -44.22 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 75.049999999999997 111.137 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' A' ' 4' ' ' GLU . 2.0 tt -76.16 -22.44 55.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.918 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -18.54 52.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 61.109999999999999 110.868 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -58.64 -28.13 65.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 54.039999999999999 110.884 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -39.59 13.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 43.009999999999998 110.888 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.53 -16.36 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 110.902 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -27.46 37.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.887 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -69.65 -65.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.219999999999999 110.895 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -48.14 -43.04 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 55.219999999999999 111.09 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -83.37 115.11 21.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 55.229999999999997 110.871 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -98.62 -2.78 37.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 75.099999999999994 110.898 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.43 26.52 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 70.140000000000001 112.499 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.69 104.87 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 70.299999999999997 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -72.13 74.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 65.329999999999998 110.866 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -71.91 -17.56 62.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 64.310000000000002 111.166 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.3 mt -54.7 -25.13 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 71.150000000000006 111.122 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -16.41 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.019999999999996 111.121 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -68.56 -16.75 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 71.519999999999996 110.97 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -70.93 -25.67 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 72.439999999999998 110.811 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -75.12 -28.49 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.420000000000002 110.86 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -53.29 -51.52 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.420000000000002 110.934 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.472 ' O ' HD13 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -68.35 -23.56 28.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 63.130000000000003 111.128 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -69.2 -23.09 63.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 70.239999999999995 110.891 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -84.47 -26.15 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 73.430000000000007 110.906 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 27' ' ' ILE . 9.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 72.400000000000006 111.092 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.94 0.4 . . . . 63.43 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t -67.46 164.01 19.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 70.129999999999995 111.147 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -131.74 74.76 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 72.230000000000004 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.616 ' O ' ' N ' ' A' ' 7' ' ' LEU . 3.3 mt-10 -83.57 -73.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.896 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -31.48 -40.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.430000000000007 110.84 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 4' ' ' GLU . 29.8 t -70.82 -42.55 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 75.150000000000006 111.125 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.616 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -73.96 -16.97 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 40.100000000000001 110.933 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -19.98 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 72.340000000000003 110.864 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -59.07 -29.61 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 72.400000000000006 110.856 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -91.36 -39.09 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.230000000000004 110.89 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' HA ' HG22 ' A' ' 14' ' ' ILE . 7.5 mm100 -70.78 -14.67 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 110.936 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -52.62 -36.23 56.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 61.549999999999997 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.13 -66.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.120000000000005 110.921 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.404 HG22 ' HA ' ' A' ' 11' ' ' GLN . 4.9 tp -48.67 -42.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 111.141 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -83.35 114.96 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 71.239999999999995 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -99.25 -3.01 35.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 61.210000000000001 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.94 43.65 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 63.539999999999999 112.471 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.69 120.18 39.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 74.299999999999997 110.891 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -73.54 63.64 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 61.240000000000002 110.907 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -71.62 -18.99 62.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 74.129999999999995 111.159 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.1 mt -56.52 -25.47 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 111.127 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.63 -20.01 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 71.209999999999994 111.084 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -73.4 -16.91 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.109999999999999 110.893 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -72.94 -30.88 64.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 61.340000000000003 110.852 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -76.86 -30.71 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 71.120000000000005 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.08 -57.29 10.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 75.040000000000006 110.912 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.3 tt -64.29 -23.5 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 74.430000000000007 111.099 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -67.59 -22.75 65.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 63.43 110.915 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -83.82 -25.44 30.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 75.219999999999999 110.875 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 72.25 111.17 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.961 0.41 . . . . 74.230000000000004 110.866 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.48 156.19 17.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 73.299999999999997 111.121 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.83 109.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 71.310000000000002 110.825 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 7' ' ' LEU . 6.6 mm-40 -82.31 -62.5 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 71.319999999999993 110.916 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -30.63 -42.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 73.209999999999994 110.816 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' GLU . 73.9 t -78.7 -39.54 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 60.100000000000001 111.095 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 4' ' ' GLU . 11.3 tp -68.05 -16.4 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 62.450000000000003 110.959 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -21.49 22.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 75.140000000000001 110.889 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -61.47 -31.28 71.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 70.340000000000003 110.842 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -93.0 -38.65 11.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 61.32 110.865 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.19 -14.77 62.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.209999999999994 110.957 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -53.01 -36.24 60.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 65.230000000000004 110.897 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -71.15 -66.9 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 75.349999999999994 110.905 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.0 mt -49.08 -43.45 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.128 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -83.52 115.23 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 53.350000000000001 110.914 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -98.83 -2.86 36.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 75.439999999999998 110.906 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.38 27.63 0.25 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 72.099999999999994 112.481 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.67 99.19 7.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 70.239999999999995 110.866 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -71.27 79.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 73.319999999999993 110.887 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -17.54 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 64.349999999999994 111.143 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -54.64 -25.73 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.409999999999997 111.144 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.42 -17.89 15.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 74.299999999999997 111.119 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -69.49 -16.88 63.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 72.219999999999999 110.886 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.32 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 65.030000000000001 110.905 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -75.59 -26.01 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 72.219999999999999 110.891 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -54.87 -52.13 63.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.230000000000004 110.91 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.521 ' O ' HG12 ' A' ' 30' ' ' VAL . 2.5 mp -74.15 -25.45 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 70.150000000000006 111.109 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -58.99 -19.57 44.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 110.905 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -84.81 -25.28 28.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.540000000000006 110.905 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 27' ' ' ILE . 2.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 73.310000000000002 111.153 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.933 0.397 . . . . 62.25 110.905 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -151.71 29.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 74.450000000000003 111.131 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -138.59 104.87 5.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 71.430000000000007 110.853 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 7' ' ' LEU . 44.2 mm-40 -87.44 -67.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 72.219999999999999 110.883 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -31.42 -41.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 72.049999999999997 110.858 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' GLU . 85.7 t -76.77 -39.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 75.430000000000007 111.083 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 4' ' ' GLU . 12.2 tp -70.84 -15.26 62.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 55.420000000000002 110.948 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -55.73 -21.05 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.857 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -60.13 -30.74 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 75.329999999999998 110.873 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -94.11 -38.3 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 63.5 110.873 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -13.87 62.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 72.5 110.922 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -51.68 -32.46 29.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.129999999999995 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -71.22 -66.75 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 62.509999999999998 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mm -49.26 -41.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 62.549999999999997 111.135 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.477 HD22 ' N ' ' A' ' 15' ' ' ASN . 1.3 m-80 -71.45 114.0 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 70.420000000000002 110.864 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -100.31 -3.51 31.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 71.409999999999997 110.928 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.59 31.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 70.420000000000002 112.471 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -113.97 112.58 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 73.219999999999999 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -70.52 85.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 70.349999999999994 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.658 HG22 ' HE2' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -71.74 -18.61 62.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 51.5 111.141 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.5 pt -56.13 -27.05 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.420000000000002 111.137 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -18.11 17.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.120000000000005 111.099 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.658 ' HE2' HG22 ' A' ' 20' ' ' THR . 25.3 m-85 -71.87 -16.16 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 73.430000000000007 110.927 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.81 -26.1 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 65.030000000000001 110.877 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -72.59 -26.78 61.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.409999999999997 110.883 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -53.37 -49.91 66.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 53.240000000000002 110.917 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.5 tt -73.6 -23.42 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 73.209999999999994 111.099 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -68.75 -22.72 64.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 62.310000000000002 110.896 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -83.83 -25.4 30.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 73.319999999999993 110.898 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 75.439999999999998 111.153 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.904 0.383 . . . . 74.530000000000001 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.0 p -103.46 102.0 11.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 62.149999999999999 111.165 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -167.98 122.05 0.94 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 75.540000000000006 110.913 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.576 ' O ' ' N ' ' A' ' 7' ' ' LEU . 59.3 mp0 -109.98 -75.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 70.239999999999995 110.879 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.74 -40.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 72.510000000000005 110.876 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 4' ' ' GLU . 77.3 t -64.79 -45.83 93.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 65.349999999999994 111.121 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 4' ' ' GLU . 5.3 tp -77.31 -20.07 55.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.895 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.4 mmt -60.78 -15.56 31.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 51.299999999999997 110.899 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -25.59 23.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 62.43 110.855 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -37.72 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.855 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -69.58 -16.49 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 70.340000000000003 110.876 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -55.44 -34.31 64.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 72.439999999999998 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.7 -65.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 70.510000000000005 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.2 tt -47.77 -42.36 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 50.039999999999999 111.13 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -83.49 114.72 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.530000000000001 110.903 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.86 -2.99 36.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.150000000000006 110.964 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.07 22.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 33.530000000000001 112.468 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.55 109.84 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 74.439999999999998 110.915 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -70.37 84.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 73.209999999999994 110.901 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -71.24 -18.87 62.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 54.130000000000003 111.114 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pp -55.69 -25.46 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 72.109999999999999 111.124 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.16 -17.58 11.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 64.219999999999999 111.138 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.59 -16.66 63.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.040000000000006 110.961 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.45 -25.73 62.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 62.229999999999997 110.895 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.54 -29.16 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.299999999999997 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -53.28 -58.47 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 64.040000000000006 110.905 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tt -64.46 -22.63 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 74.109999999999999 111.127 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -66.37 -22.7 66.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.865 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.79 -25.36 30.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.918 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 72.109999999999999 111.098 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.873 0.368 . . . . 71.53 110.843 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.53 -45.97 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 73.2 111.099 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.4 tp -76.17 -24.31 54.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 63.23 110.915 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.6 mmt -71.86 -16.07 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.35 110.873 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -57.5 -26.13 60.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 70.23 110.87 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -87.24 -41.17 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.558 ' OE1' HD13 ' A' ' 14' ' ' ILE . 9.2 tp-100 -73.03 -18.19 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.884 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -25.57 56.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 61.04 110.907 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -57.85 -63.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.909 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.558 HD13 ' OE1' ' A' ' 11' ' ' GLN . 3.7 mp -46.79 -41.23 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 64.01 111.13 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.68 115.87 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 62.42 110.872 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -97.85 -2.73 40.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.899 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.08 17.7 0.62 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 71.03 112.468 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -114.67 107.74 15.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 64.14 110.867 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -70.73 88.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.881 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.5 p -71.5 -19.15 62.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 74.35 111.095 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.96 -26.73 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 72.42 111.131 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.73 -11.81 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 33.33 111.077 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.91 -15.61 63.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.887 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -30.61 71.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 62.11 110.872 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 ttp85 -66.91 -27.03 67.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.892 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.35 -54.31 38.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 64.31 110.918 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 30' ' ' VAL . 5.9 tp -73.69 -23.84 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 75.13 111.141 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -64.1 -15.66 60.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 55.14 110.93 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -83.3 -15.41 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.12 110.908 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 27' ' ' ILE . 9.2 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 63.43 111.138 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.946 0.403 . . . . 73.42 110.87 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.502 HG13 HD12 ' A' ' 7' ' ' LEU . 7.4 p -65.12 -45.12 95.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 51.14 111.092 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.502 HD12 HG13 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -76.64 -23.3 53.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 61.24 110.931 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.4 mmt -72.49 -16.49 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.886 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -58.01 -26.73 62.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -87.73 -41.15 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.3 110.875 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -72.74 -17.84 61.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 75.24 110.875 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -26.11 55.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 70.22 110.892 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -59.02 -64.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 74.23 110.88 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.2 mt -47.11 -41.54 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 72.53 111.115 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -79.73 116.07 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 53.22 110.926 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -96.94 -2.73 43.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 63.04 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.83 18.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 61.22 112.497 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.42 101.91 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 75.21 110.887 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -70.74 84.5 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.5 110.857 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 p -71.47 -18.76 62.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 64.13 111.12 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 pt -55.85 -26.34 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 72.45 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.34 -11.84 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 61.24 111.1 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -66.62 -16.27 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 61.12 110.916 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -63.46 -26.01 68.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 71.2 110.886 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -67.81 -26.33 66.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 60.53 110.888 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.96 -52.37 50.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.94 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.8 tp -72.06 -22.67 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 63.23 111.134 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -58.77 -21.26 55.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 55.02 110.885 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -75.05 -15.42 60.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 73.41 110.914 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 73.45 111.1 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.902 0.382 . . . . 71.35 110.825 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.19 -46.99 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 72.13 111.161 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.8 tp -76.97 -23.91 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 71.24 110.961 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 mmt -70.5 -16.84 62.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 53.4 110.899 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -57.6 -27.24 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 64.54 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -88.64 -39.44 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 62.24 110.89 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -71.41 -18.33 62.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.874 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -29.66 62.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.53 110.909 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -69.37 -64.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.907 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mm -47.04 -43.31 6.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 63.35 111.141 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.99 113.06 20.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 62.25 110.927 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -100.74 -2.92 31.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 61.25 110.879 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.11 -87.18 1.09 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 62.33 112.527 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -102.82 135.23 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 75.03 110.859 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -70.73 121.18 17.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.88 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 p -71.35 -15.96 62.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 73.15 111.132 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 pt -53.9 -23.28 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.11 111.138 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.45 -12.1 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.54 111.105 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.75 -14.66 59.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 62.14 110.935 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -60.82 -22.16 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 73.32 110.884 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -72.27 -27.34 62.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 74.34 110.901 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -53.19 -58.44 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.936 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 tp -73.4 -23.42 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 72.13 111.143 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -64.87 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 71.14 110.886 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -83.21 -25.48 31.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 62.14 111.131 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.87 0.367 . . . . 73.32 110.861 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.9 -46.14 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 71.51 111.176 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -24.58 54.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 64.21 110.885 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -72.49 -15.68 61.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.859 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -57.26 -25.41 59.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 55.12 110.868 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -87.04 -40.66 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 71.21 110.848 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -72.65 -18.57 61.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.05 110.96 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.56 ' HA ' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -57.27 -25.67 59.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 70.34 110.907 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.84 -63.08 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.7 mp -46.16 -41.11 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 50.2 111.141 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -81.26 115.54 20.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.856 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -97.35 -2.76 41.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 72.03 110.958 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.09 17.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 65.11 112.513 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 118.56 34.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 63.31 110.915 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 2.8 p30 -70.59 87.86 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.869 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.56 HG21 ' HA ' ' A' ' 12' ' ' LYS . 30.5 p -71.36 -29.64 65.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 62.1 111.162 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.8 pt -56.56 -23.98 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 42.21 111.162 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -12.22 3.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 42.32 111.062 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.64 -15.99 63.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 74.12 110.91 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -63.67 -21.09 66.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.857 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -66.24 -25.6 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.873 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.89 -59.88 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 65.45 110.919 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.7 mt -73.73 -23.56 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 71.13 111.156 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -57.79 -23.19 51.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 72.03 110.881 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -85.12 -25.76 27.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.889 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 34.2 111.126 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.91 0.386 . . . . 72.01 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.2 t -77.18 -39.43 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 72.52 111.144 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 tp -71.59 -17.06 62.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 61.4 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -20.63 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 61.15 110.873 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -60.46 -29.86 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 74.24 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -91.86 -38.24 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 70.13 110.86 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.77 -14.22 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 65.41 110.903 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -52.43 -35.92 53.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 63.44 110.867 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.8 -66.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 53.24 110.942 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mt -49.1 -42.73 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 61.5 111.162 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -83.08 115.64 21.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 62.43 110.908 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -99.21 -2.77 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 73.5 110.924 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.99 32.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 32.51 112.447 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -114.03 105.98 13.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 64.34 110.936 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -71.56 77.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 64.04 110.875 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.643 HG22 ' HE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -71.83 -17.91 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 75.32 111.122 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 21' ' ' ILE . 3.8 mp -55.17 -27.33 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 71.54 111.169 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.0 -17.15 15.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 70.34 111.109 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.643 ' HE2' HG22 ' A' ' 20' ' ' THR . 17.7 m-85 -69.43 -16.99 63.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 60.54 110.938 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -65.72 -29.4 69.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 61.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -73.43 -28.59 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 75.3 110.902 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.91 -49.82 65.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 72.55 110.885 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.417 ' HA ' HG12 ' A' ' 30' ' ' VAL . 82.2 mt -72.83 -20.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.31 111.108 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -57.77 -22.76 48.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.89 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -84.89 -26.55 27.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.825 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 27' ' ' ILE . 6.0 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.173 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 63.33 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 7' ' ' LEU . 7.1 p -74.07 -40.71 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 75.13 111.138 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.412 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.4 mm? -72.82 -17.33 61.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 70.44 110.896 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -57.43 -20.39 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.55 110.891 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -60.27 -29.97 69.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.834 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -91.31 -38.61 12.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.846 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -70.13 -15.34 62.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 50.21 110.891 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -55.66 -33.8 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 64.01 110.928 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -71.03 -69.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.896 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.428 HD12 ' CG ' ' A' ' 15' ' ' ASN . 1.3 pp -49.31 -41.41 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 75.24 111.161 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.428 ' CG ' HD12 ' A' ' 14' ' ' ILE . 27.7 m120 -82.92 115.17 21.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 75.42 110.853 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -99.04 -2.93 35.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.917 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.52 31.6 0.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 72.44 112.494 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.79 103.25 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 72.52 110.882 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -72.45 72.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 74.33 110.909 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.467 HG22 ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -71.91 -17.75 62.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 65.13 111.157 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.4 mt -55.16 -26.39 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 73.02 111.127 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.7 -16.94 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 64.34 111.057 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.467 ' CD2' HG22 ' A' ' 20' ' ' THR . 7.9 m-85 -69.3 -16.8 63.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 74.2 110.905 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.92 -28.86 64.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 72.45 110.907 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -71.77 -31.02 66.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 64.21 110.856 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -52.74 -50.42 63.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.936 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.6 tt -70.6 -23.47 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 72.42 111.11 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -61.26 -22.77 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.824 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -76.97 -25.39 52.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 61.43 110.906 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 63.11 111.125 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.892 0.377 . . . . 31.44 110.823 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.59 -46.45 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 62.25 111.105 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.62 -24.18 53.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.944 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.0 mmt -70.67 -16.71 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.849 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -57.64 -26.39 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 62.12 110.869 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -87.49 -39.71 14.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -71.7 -17.08 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -55.52 -26.38 42.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.909 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.66 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.943 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mp -47.47 -42.45 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 54.33 111.13 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -82.67 115.36 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 43.12 110.908 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -97.57 -2.67 41.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.906 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.59 16.35 0.96 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 63.01 112.465 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -113.96 100.35 8.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.801 0.334 . . . . 74.4 110.878 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -71.03 81.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 62.51 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 p -71.44 -19.36 62.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.169 -0.469 . . . . 74.12 111.163 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.1 pt -56.29 -25.79 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 61.2 111.168 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -13.0 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.076 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -67.09 -16.26 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 63.53 110.969 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.35 -26.06 68.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 74.45 110.91 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -70.68 -27.26 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 72.31 110.858 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -51.99 -59.77 3.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.5 110.915 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.44 ' O ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -73.96 -17.53 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 64.32 111.102 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -19.06 60.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 75.41 110.864 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -73.58 -17.17 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 71.34 110.91 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 27' ' ' ILE . 9.4 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 72.44 111.173 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.883 0.373 . . . . 62.22 110.856 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.8 t -77.34 -40.11 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.11 111.141 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.8 tp -72.11 -16.44 62.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 61.21 110.938 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -18.86 22.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.878 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -28.18 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.891 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -91.14 -38.5 12.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 71.43 110.836 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -15.0 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.915 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -53.8 -38.23 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 64.23 110.87 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -70.68 -66.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 72.54 110.901 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.4 mt -48.6 -43.42 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 54.01 111.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -83.64 115.48 22.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 44.33 110.927 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -98.27 -2.68 38.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.938 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.05 26.93 0.25 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 61.05 112.523 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -113.67 99.72 7.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.805 0.336 . . . . 51.43 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -71.09 80.84 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 74.41 110.899 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -18.72 62.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 64.03 111.111 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.2 -26.5 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.21 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -18.67 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 71.25 111.13 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.47 -16.66 63.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.928 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.73 -31.17 72.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 75.52 110.845 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 ttt-85 -76.12 -29.16 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.44 110.865 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -53.19 -56.45 16.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.02 110.922 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 tt -67.23 -22.55 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 73.42 111.152 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -69.29 -21.14 63.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 65.33 110.869 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -83.82 -26.0 29.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 63.25 110.888 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.137 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.891 0.377 . . . . 42.2 110.835 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.3 t -78.71 -39.64 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.09 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.38 -16.35 63.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 63.53 110.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -21.31 22.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.9 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -61.16 -31.05 70.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.87 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.7 mtt-85 -92.76 -39.03 11.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 75.51 110.858 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -70.61 -14.54 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.926 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -36.51 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.42 110.917 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -71.05 -67.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 70.04 110.868 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mt -49.08 -43.57 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 64.51 111.151 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -83.65 115.54 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.04 110.856 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -98.47 -2.72 38.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 75.13 110.929 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.06 29.04 0.28 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 15.24 112.519 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.69 96.67 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 60.14 110.941 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -71.35 79.32 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 71.24 110.918 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -17.86 62.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 54.22 111.15 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.3 mt -54.8 -26.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 74.13 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.47 -18.78 20.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 62.13 111.094 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -17.08 62.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.914 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -64.86 -29.14 70.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 64.12 110.877 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -72.89 -28.43 62.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 65.3 110.862 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -53.0 -55.58 22.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.0 mt -68.22 -22.65 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 62.23 111.105 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -23.29 51.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.881 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -85.16 -25.84 27.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 71.42 110.927 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 73.13 111.13 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.861 0.362 . . . . 74.51 110.834 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.03 -46.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 61.33 111.129 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.418 HD13 ' NE ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.12 -24.53 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.05 110.907 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.4 mmt -72.79 -14.81 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 70.11 110.903 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -56.03 -25.78 46.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.868 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.418 ' NE ' HD13 ' A' ' 7' ' ' LEU . 15.8 ptp180 -86.82 -37.12 18.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.928 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -71.34 -18.01 62.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 63.25 110.952 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -57.34 -28.29 63.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -69.86 -66.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 60.54 110.915 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 tt -47.93 -42.62 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.191 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -84.06 113.55 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 72.22 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -99.93 -2.74 33.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.964 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.14 -96.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 45.43 112.511 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -102.98 152.67 21.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 73.2 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -70.46 120.76 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 51.54 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -71.78 -16.93 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.03 111.119 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.4 pt -54.38 -23.23 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 64.14 111.128 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.95 -12.01 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 75.4 111.072 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -15.09 62.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.927 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -61.62 -26.17 67.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 75.41 110.911 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -68.64 -26.49 65.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 72.22 110.891 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.06 -55.09 22.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 71.1 110.897 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.9 pt -72.41 -23.47 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 65.3 111.104 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -61.12 -22.69 64.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 65.31 110.896 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -77.62 -25.45 49.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 71.34 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 72.34 111.176 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.929 0.395 . . . . 74.22 110.911 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 7' ' ' LEU . 8.6 p -76.37 -40.34 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 73.45 111.127 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.414 ' N ' HG13 ' A' ' 6' ' ' VAL . 5.9 tp -73.45 -16.51 61.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 44.32 110.896 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -18.54 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.876 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -27.58 55.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 74.02 110.866 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -38.04 13.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.854 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -15.35 63.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.93 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -53.73 -38.49 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.881 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -70.43 -66.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 74.04 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mt -48.34 -43.15 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 64.21 111.138 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -83.49 114.98 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 72.44 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -98.89 -2.94 36.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.52 110.915 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.18 28.17 0.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 72.1 112.489 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -113.69 108.13 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 61.34 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -71.8 76.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 52.05 110.921 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.6 m -71.73 -21.46 61.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 64.01 111.156 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.7 mt -55.92 -24.55 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.45 111.184 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.19 -15.38 9.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 73.33 111.035 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -68.32 -16.54 63.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 60.35 110.93 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.04 -31.01 72.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 73.4 110.899 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -76.1 -27.01 56.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.895 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -52.67 -53.02 53.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 73.53 110.924 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.8 tp -70.52 -23.51 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.14 111.127 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -63.27 -22.71 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.883 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -78.54 -25.46 45.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 74.52 110.87 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 73.51 111.144 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.912 0.387 . . . . 74.33 110.905 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.33 -47.0 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 53.24 111.078 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 tp -78.79 -20.63 49.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.91 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -14.99 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 75.22 110.836 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -25.21 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 72.02 110.849 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -86.91 -38.04 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 52.22 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' HG3' HD11 ' A' ' 14' ' ' ILE . 2.7 tt0 -70.13 -17.65 63.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 70.41 110.879 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -26.55 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.933 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -68.52 -66.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.502 HD11 ' HG3' ' A' ' 11' ' ' GLN . 9.2 pt -47.84 -41.08 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.32 111.157 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -82.79 114.59 21.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 75.55 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -99.76 -3.64 32.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.62 16.5 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 44.22 112.491 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -114.77 119.26 36.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 74.51 110.901 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -70.22 96.87 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 62.54 110.904 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 p -71.51 -30.01 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.1 111.16 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.9 mt -56.98 -26.5 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 62.43 111.089 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.62 -13.02 11.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 70.45 111.065 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -68.18 -16.4 63.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 74.24 110.932 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -62.6 -28.94 70.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 75.24 110.841 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -70.35 -27.63 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.32 110.853 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.87 -52.55 57.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 65.44 110.925 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.401 ' O ' HG12 ' A' ' 30' ' ' VAL . 5.8 tp -69.65 -22.69 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 73.11 111.137 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -58.89 -21.05 56.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 63.42 110.872 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.42 -15.31 60.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 72.44 110.897 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 27' ' ' ILE . 7.4 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.23 111.068 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.929 0.395 . . . . 61.22 110.882 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -77.3 -39.38 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 65.33 111.165 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -15.24 63.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 73.35 110.917 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.524 ' CG ' HG23 ' A' ' 20' ' ' THR . 1.8 tmt? -55.05 -22.17 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.848 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -61.71 -32.33 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 71.23 110.887 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -93.78 -38.77 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 70.32 110.883 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -14.66 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.914 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -53.17 -38.85 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.43 110.921 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -71.2 -66.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 63.55 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.5 mt -48.22 -43.12 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 74.2 111.102 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -83.26 115.1 21.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 61.12 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -99.14 -2.8 36.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.922 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.87 31.42 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 73.12 112.493 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -113.71 103.38 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 63.54 110.922 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -72.77 70.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 54.43 110.926 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.524 HG23 ' CG ' ' A' ' 8' ' ' MET . 2.4 t -71.71 -17.76 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.41 111.133 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.412 HG23 ' HG3' ' A' ' 8' ' ' MET . 13.4 pt -55.35 -25.86 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.12 111.143 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 -15.56 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.53 111.06 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -68.63 -16.79 63.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 73.5 110.937 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -62.75 -31.48 72.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 62.24 110.889 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -76.87 -26.74 54.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.878 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -53.19 -58.97 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 62.2 110.959 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.9 tt -65.45 -23.39 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 60.12 111.17 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -65.4 -22.66 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 72.31 110.873 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -80.51 -25.42 38.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.886 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.12 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.922 0.391 . . . . 74.35 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.3 t -76.48 -40.49 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 54.2 111.141 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.85 -14.98 62.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.9 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.778 ' CE ' HG22 ' A' ' 21' ' ' ILE . 7.8 tmm? -55.94 -20.58 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 72.11 110.877 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -29.32 64.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 72.52 110.9 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -92.97 -38.6 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.35 110.871 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -69.92 -14.86 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 63.14 110.895 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -38.72 63.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 70.41 110.87 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -70.96 -66.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 44.53 110.907 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.1 mt -48.32 -43.07 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.152 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -83.15 115.12 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 62.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -99.06 -2.77 36.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 72.33 110.941 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.99 28.47 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 53.22 112.467 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -113.65 102.14 9.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 74.2 110.95 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -71.38 79.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 71.04 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -17.79 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.3 111.17 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.778 HG22 ' CE ' ' A' ' 8' ' ' MET . 15.7 pt -55.04 -26.9 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 71.32 111.18 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.31 -17.74 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 71.33 111.121 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -70.29 -16.51 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.893 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -31.27 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.909 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -76.89 -26.95 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 70.23 110.835 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.25 -56.08 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.45 ' O ' HG12 ' A' ' 30' ' ' VAL . 25.1 pt -64.04 -23.09 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 72.13 111.111 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -65.28 -17.11 64.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.928 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.71 -19.07 60.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.868 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 27' ' ' ILE . 9.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 75.31 111.121 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.885 0.374 . . . . 64.1 110.866 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.4 t -65.7 -45.33 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 73.21 111.141 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.98 -20.94 57.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 65.13 110.917 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.438 ' SD ' HG22 ' A' ' 21' ' ' ILE . 1.6 tmt? -59.75 -18.77 45.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.859 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.4 mmm-85 -60.21 -27.39 67.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.86 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -89.66 -41.74 11.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.862 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.692 ' NE2' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -72.4 -15.68 61.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 55.32 110.941 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -55.22 -26.84 42.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 63.03 110.873 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -69.95 -66.95 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 64.02 110.912 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tt -48.46 -43.75 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 74.31 111.132 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -84.82 113.4 21.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 64.31 110.873 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -102.03 -3.04 28.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.915 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.92 26.06 1.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 41.31 112.513 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -114.6 104.91 12.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.334 . . . . 75.34 110.875 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 p30 -73.4 65.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 71.51 110.902 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.692 HG21 ' NE2' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -71.81 -15.92 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 62.11 111.146 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.438 HG22 ' SD ' ' A' ' 8' ' ' MET . 2.4 pp -53.76 -25.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.52 111.148 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.22 -13.59 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.06 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -67.49 -16.66 64.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 71.4 110.933 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.34 -27.41 63.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 71.32 110.866 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -72.42 -29.89 64.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.816 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -53.08 -54.66 32.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.11 110.916 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.3 tt -63.93 -21.9 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.145 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -69.23 -21.39 63.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.926 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -83.83 -25.91 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 72.01 110.934 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 74.22 111.172 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.916 0.389 . . . . 70.35 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.1 -44.22 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 75.05 111.137 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.519 ' O ' HD23 ' A' ' 7' ' ' LEU . 2.0 tt -76.16 -22.44 55.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.918 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -18.54 52.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 61.11 110.868 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -58.64 -28.13 65.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 54.04 110.884 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -39.59 13.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 43.01 110.888 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.53 -16.36 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.902 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -27.46 37.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.887 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -69.65 -65.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.895 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -48.14 -43.04 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 55.22 111.09 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -83.37 115.11 21.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 55.23 110.871 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -98.62 -2.78 37.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 75.1 110.898 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.43 26.52 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 70.14 112.499 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.69 104.87 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 70.3 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -72.13 74.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 65.33 110.866 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -71.91 -17.56 62.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 64.31 111.166 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.3 mt -54.7 -25.13 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 71.15 111.122 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -16.41 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.02 111.121 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -68.56 -16.75 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 71.52 110.97 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -70.93 -25.67 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.811 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -75.12 -28.49 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.86 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -53.29 -51.52 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.42 110.934 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.472 ' O ' HD13 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -68.35 -23.56 28.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 63.13 111.128 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -69.2 -23.09 63.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 70.24 110.891 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -84.47 -26.15 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.906 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 27' ' ' ILE . 9.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.092 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.896 0.379 . . . . 75.43 110.84 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.8 t -70.82 -42.55 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 75.15 111.125 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.96 -16.97 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 40.1 110.933 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -19.98 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 72.34 110.864 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -59.07 -29.61 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 72.4 110.856 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -91.36 -39.09 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.89 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.404 ' HA ' HG22 ' A' ' 14' ' ' ILE . 7.5 mm100 -70.78 -14.67 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.11 110.936 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -52.62 -36.23 56.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 61.55 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.13 -66.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.921 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.404 HG22 ' HA ' ' A' ' 11' ' ' GLN . 4.9 tp -48.67 -42.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 71.42 111.141 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -83.35 114.96 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 71.24 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -99.25 -3.01 35.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 61.21 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.94 43.65 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 63.54 112.471 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.69 120.18 39.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 74.3 110.891 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -73.54 63.64 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 61.24 110.907 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -71.62 -18.99 62.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.159 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.1 mt -56.52 -25.47 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.21 111.127 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.63 -20.01 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 71.21 111.084 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -73.4 -16.91 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.11 110.893 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -72.94 -30.88 64.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 61.34 110.852 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -76.86 -30.71 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.08 -57.29 10.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.912 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.3 tt -64.29 -23.5 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 74.43 111.099 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -67.59 -22.75 65.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 63.43 110.915 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -83.82 -25.44 30.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.875 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 72.25 111.17 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.913 0.387 . . . . 73.21 110.816 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.9 t -78.7 -39.54 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 60.1 111.095 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.3 tp -68.05 -16.4 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 62.45 110.959 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -21.49 22.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.889 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -61.47 -31.28 71.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 70.34 110.842 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -93.0 -38.65 11.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 61.32 110.865 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -14.77 62.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.957 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -53.01 -36.24 60.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 65.23 110.897 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -71.15 -66.9 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.905 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.0 mt -49.08 -43.45 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.128 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -83.52 115.23 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 53.35 110.914 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -98.83 -2.86 36.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.906 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.38 27.63 0.25 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 72.1 112.481 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.67 99.19 7.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 70.24 110.866 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -71.27 79.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.887 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -17.54 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 64.35 111.143 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -54.64 -25.73 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.41 111.144 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.42 -17.89 15.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 74.3 111.119 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -69.49 -16.88 63.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.886 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.32 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 65.03 110.905 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -75.59 -26.01 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 72.22 110.891 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -54.87 -52.13 63.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.23 110.91 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.521 ' O ' HG12 ' A' ' 30' ' ' VAL . 2.5 mp -74.15 -25.45 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 70.15 111.109 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -58.99 -19.57 44.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.905 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -84.81 -25.28 28.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.54 110.905 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 27' ' ' ILE . 2.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 73.31 111.153 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.368 . . . . 72.05 110.858 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.7 t -76.77 -39.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 75.43 111.083 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.2 tp -70.84 -15.26 62.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 55.42 110.948 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -55.73 -21.05 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.857 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -60.13 -30.74 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.873 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -94.11 -38.3 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 63.5 110.873 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -13.87 62.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 72.5 110.922 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -51.68 -32.46 29.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -71.22 -66.75 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 62.51 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mm -49.26 -41.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 62.55 111.135 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.477 ' N ' HD22 ' A' ' 15' ' ' ASN . 1.3 m-80 -71.45 114.0 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 70.42 110.864 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -100.31 -3.51 31.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 71.41 110.928 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.59 31.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 70.42 112.471 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -113.97 112.58 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 73.22 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -70.52 85.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 70.35 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.658 HG22 ' HE2' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -71.74 -18.61 62.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 51.5 111.141 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.5 pt -56.13 -27.05 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.42 111.137 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -18.11 17.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.12 111.099 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.658 ' HE2' HG22 ' A' ' 20' ' ' THR . 25.3 m-85 -71.87 -16.16 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.927 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.81 -26.1 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 65.03 110.877 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -72.59 -26.78 61.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.883 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -53.37 -49.91 66.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 53.24 110.917 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.5 tt -73.6 -23.42 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 73.21 111.099 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -68.75 -22.72 64.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 62.31 110.896 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -83.83 -25.4 30.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 73.32 110.898 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 75.44 111.153 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.895 0.378 . . . . 72.51 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.79 -45.83 93.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 65.35 111.121 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 tp -77.31 -20.07 55.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.895 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.4 mmt -60.78 -15.56 31.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 51.3 110.899 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -25.59 23.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 62.43 110.855 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -37.72 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.855 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -69.58 -16.49 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 70.34 110.876 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -55.44 -34.31 64.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.7 -65.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 70.51 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.2 tt -47.77 -42.36 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 50.04 111.13 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -83.49 114.72 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.903 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.86 -2.99 36.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.15 110.964 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.07 22.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 33.53 112.468 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.55 109.84 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 74.44 110.915 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -70.37 84.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.901 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -71.24 -18.87 62.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 54.13 111.114 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pp -55.69 -25.46 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 72.11 111.124 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.16 -17.58 11.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 64.22 111.138 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.59 -16.66 63.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.04 110.961 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.45 -25.73 62.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 62.23 110.895 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.54 -29.16 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.3 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -53.28 -58.47 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 64.04 110.905 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tt -64.46 -22.63 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 74.11 111.127 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -66.37 -22.7 66.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.865 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.79 -25.36 30.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.918 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 72.11 111.098 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.888 0.375 . . . . 74.25 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p -148.63 -179.53 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 63.52 111.145 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -74.56 93.28 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 71.31 110.878 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.595 ' O ' ' N ' ' A' ' 7' ' ' LEU . 13.6 mm-40 -74.25 -74.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 65.13 110.891 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -30.74 -40.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 71.53 110.843 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 4' ' ' GLU . 85.4 t -64.53 -45.97 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 73.2 111.099 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.595 ' N ' ' O ' ' A' ' 4' ' ' GLU . 50.4 tp -76.17 -24.31 54.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 63.23 110.915 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.6 mmt -71.86 -16.07 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.35 110.873 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -57.5 -26.13 60.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 70.23 110.87 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -87.24 -41.17 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.558 ' OE1' HD13 ' A' ' 14' ' ' ILE . 9.2 tp-100 -73.03 -18.19 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.884 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -25.57 56.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 61.04 110.907 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -57.85 -63.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.909 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.558 HD13 ' OE1' ' A' ' 11' ' ' GLN . 3.7 mp -46.79 -41.23 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 64.01 111.13 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.68 115.87 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 62.42 110.872 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -97.85 -2.73 40.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.899 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.08 17.7 0.62 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 71.03 112.468 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -114.67 107.74 15.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 64.14 110.867 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -70.73 88.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.881 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.5 p -71.5 -19.15 62.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 74.35 111.095 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.96 -26.73 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 72.42 111.131 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.73 -11.81 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 33.33 111.077 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.91 -15.61 63.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.887 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -30.61 71.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 62.11 110.872 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 ttp85 -66.91 -27.03 67.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.892 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.35 -54.31 38.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 64.31 110.918 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 30' ' ' VAL . 5.9 tp -73.69 -23.84 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 75.13 111.141 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -64.1 -15.66 60.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 55.14 110.93 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -83.3 -15.41 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.12 110.908 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 27' ' ' ILE . 9.2 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 63.43 111.138 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.897 0.38 . . . . 55.55 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.612 HG22 HD13 ' A' ' 27' ' ' ILE . 14.8 t -58.52 170.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 71.45 111.171 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.65 120.93 5.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 53.21 110.836 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.595 ' O ' ' N ' ' A' ' 7' ' ' LEU . 79.8 mm-40 -126.81 -75.03 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.85 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.8 -40.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.87 -179.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.502 HG13 HD12 ' A' ' 7' ' ' LEU . 7.4 p -65.12 -45.12 95.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 51.14 111.092 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.595 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -76.64 -23.3 53.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 61.24 110.931 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.4 mmt -72.49 -16.49 61.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.886 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -58.01 -26.73 62.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -87.73 -41.15 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.3 110.875 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -72.74 -17.84 61.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 75.24 110.875 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -26.11 55.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 70.22 110.892 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -59.02 -64.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 74.23 110.88 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.2 mt -47.11 -41.54 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 72.53 111.115 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -79.73 116.07 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 53.22 110.926 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -96.94 -2.73 43.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 63.04 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.83 18.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 61.22 112.497 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.42 101.91 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 75.21 110.887 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -70.74 84.5 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.5 110.857 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 p -71.47 -18.76 62.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 64.13 111.12 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 pt -55.85 -26.34 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 72.45 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.34 -11.84 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 61.24 111.1 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -66.62 -16.27 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 61.12 110.916 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -63.46 -26.01 68.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 71.2 110.886 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -67.81 -26.33 66.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 60.53 110.888 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -51.96 -52.37 50.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.94 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.612 HD13 HG22 ' A' ' 2' ' ' THR . 5.8 tp -72.06 -22.67 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 63.23 111.134 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -58.77 -21.26 55.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 55.02 110.885 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -75.05 -15.42 60.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 73.41 110.914 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 73.45 111.1 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.97 0.414 . . . . 55.42 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.78 20.97 17.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 30.23 111.126 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -174.12 138.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.893 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.596 ' O ' ' N ' ' A' ' 7' ' ' LEU . 2.6 mp0 -77.07 -74.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.874 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -29.73 -40.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 71.35 110.825 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 4' ' ' GLU . 67.5 t -64.19 -46.99 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 72.13 111.161 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.596 ' N ' ' O ' ' A' ' 4' ' ' GLU . 13.8 tp -76.97 -23.91 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 71.24 110.961 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.9 mmt -70.5 -16.84 62.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 53.4 110.899 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -57.6 -27.24 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 64.54 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -88.64 -39.44 14.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 62.24 110.89 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -71.41 -18.33 62.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.874 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -29.66 62.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.53 110.909 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -69.37 -64.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.907 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mm -47.04 -43.31 6.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 63.35 111.141 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.99 113.06 20.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 62.25 110.927 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -100.74 -2.92 31.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 61.25 110.879 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.11 -87.18 1.09 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 62.33 112.527 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -102.82 135.23 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 75.03 110.859 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -70.73 121.18 17.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.88 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 p -71.35 -15.96 62.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 73.15 111.132 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 pt -53.9 -23.28 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.11 111.138 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.45 -12.1 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.54 111.105 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.75 -14.66 59.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 62.14 110.935 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -60.82 -22.16 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 73.32 110.884 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -72.27 -27.34 62.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 74.34 110.901 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -53.19 -58.44 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.936 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 tp -73.4 -23.42 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 72.13 111.143 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -64.87 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 71.14 110.886 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -83.21 -25.48 31.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 62.14 111.131 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.904 0.383 . . . . 72.55 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.4 p -69.74 110.27 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 72.24 111.159 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -176.93 115.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 72.34 110.91 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 55.4 mp0 -71.49 -74.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 65.22 110.877 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -31.12 -40.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 73.32 110.861 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 4' ' ' GLU . 88.3 t -63.9 -46.14 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 71.51 111.176 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -76.25 -24.58 54.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 64.21 110.885 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -72.49 -15.68 61.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.859 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -57.26 -25.41 59.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 55.12 110.868 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -87.04 -40.66 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 71.21 110.848 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -72.65 -18.57 61.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.05 110.96 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.56 ' HA ' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -57.27 -25.67 59.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 70.34 110.907 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.84 -63.08 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.7 mp -46.16 -41.11 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 50.2 111.141 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -81.26 115.54 20.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.856 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -97.35 -2.76 41.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 72.03 110.958 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.09 17.95 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 65.11 112.513 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 118.56 34.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 63.31 110.915 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 2.8 p30 -70.59 87.86 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.869 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.56 HG21 ' HA ' ' A' ' 12' ' ' LYS . 30.5 p -71.36 -29.64 65.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 62.1 111.162 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.8 pt -56.56 -23.98 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 42.21 111.162 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -12.22 3.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 42.32 111.062 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -65.64 -15.99 63.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 74.12 110.91 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -63.67 -21.09 66.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.857 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -66.24 -25.6 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.873 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.89 -59.88 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 65.45 110.919 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.7 mt -73.73 -23.56 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 71.13 111.156 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -57.79 -23.19 51.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 72.03 110.881 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -85.12 -25.76 27.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.889 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 34.2 111.126 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.968 0.414 . . . . 64.0 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p -88.18 142.6 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 61.54 111.2 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.91 62.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 73.04 110.867 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.632 ' O ' ' N ' ' A' ' 7' ' ' LEU . 9.4 mm-40 -54.68 -71.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.44 110.858 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -31.23 -40.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.858 -179.757 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' GLU . 65.2 t -77.18 -39.43 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 72.52 111.144 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.632 ' N ' ' O ' ' A' ' 4' ' ' GLU . 5.4 tp -71.59 -17.06 62.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 61.4 110.909 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -20.63 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 61.15 110.873 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -60.46 -29.86 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 74.24 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -91.86 -38.24 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 70.13 110.86 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.77 -14.22 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 65.41 110.903 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -52.43 -35.92 53.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 63.44 110.867 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.8 -66.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 53.24 110.942 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mt -49.1 -42.73 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 61.5 111.162 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -83.08 115.64 21.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 62.43 110.908 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -99.21 -2.77 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 73.5 110.924 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.99 32.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 32.51 112.447 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -114.03 105.98 13.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 64.34 110.936 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -71.56 77.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 64.04 110.875 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.643 HG22 ' HE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -71.83 -17.91 62.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 75.32 111.122 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 21' ' ' ILE . 3.8 mp -55.17 -27.33 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 71.54 111.169 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.0 -17.15 15.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 70.34 111.109 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.643 ' HE2' HG22 ' A' ' 20' ' ' THR . 17.7 m-85 -69.43 -16.99 63.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 60.54 110.938 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -65.72 -29.4 69.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 61.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -73.43 -28.59 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 75.3 110.902 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.91 -49.82 65.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 72.55 110.885 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.417 ' HA ' HG12 ' A' ' 30' ' ' VAL . 82.2 mt -72.83 -20.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.31 111.108 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -57.77 -22.76 48.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.89 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -84.89 -26.55 27.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.825 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 27' ' ' ILE . 6.0 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.173 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.967 0.413 . . . . 72.45 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.69 19.83 19.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 64.03 111.161 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -121.45 87.42 2.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.871 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.614 ' O ' ' N ' ' A' ' 7' ' ' LEU . 5.6 mm-40 -117.16 -73.96 0.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 65.25 110.887 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -31.58 -40.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 63.33 110.885 -179.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' GLU . 7.1 p -74.07 -40.71 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 75.13 111.138 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' A' ' 4' ' ' GLU . 1.4 mm? -72.82 -17.33 61.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 70.44 110.896 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -57.43 -20.39 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.55 110.891 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.7 mmm-85 -60.27 -29.97 69.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.834 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -91.31 -38.61 12.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.846 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -70.13 -15.34 62.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 50.21 110.891 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -55.66 -33.8 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 64.01 110.928 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -71.03 -69.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.896 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.428 HD12 ' CG ' ' A' ' 15' ' ' ASN . 1.3 pp -49.31 -41.41 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 75.24 111.161 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.428 ' CG ' HD12 ' A' ' 14' ' ' ILE . 27.7 m120 -82.92 115.17 21.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 75.42 110.853 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -99.04 -2.93 35.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.917 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.52 31.6 0.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 72.44 112.494 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.79 103.25 11.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 72.52 110.882 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -72.45 72.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 74.33 110.909 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.467 HG22 ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -71.91 -17.75 62.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 65.13 111.157 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.4 mt -55.16 -26.39 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 73.02 111.127 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.7 -16.94 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 64.34 111.057 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.467 ' CD2' HG22 ' A' ' 20' ' ' THR . 7.9 m-85 -69.3 -16.8 63.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 74.2 110.905 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.92 -28.86 64.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 72.45 110.907 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -71.77 -31.02 66.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 64.21 110.856 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -52.74 -50.42 63.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.936 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.6 tt -70.6 -23.47 24.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 72.42 111.11 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -61.26 -22.77 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.824 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -76.97 -25.39 52.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 61.43 110.906 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 63.11 111.125 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.888 0.375 . . . . 72.33 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 p -132.93 108.56 9.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 73.45 111.166 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -149.2 123.62 9.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.873 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.586 ' O ' ' N ' ' A' ' 7' ' ' LEU . 59.4 mp0 -63.54 -75.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.35 110.865 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.5 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.22 -40.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 31.44 110.823 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 4' ' ' GLU . 61.2 t -64.59 -46.45 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 62.25 111.105 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -76.62 -24.18 53.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.944 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.0 mmt -70.67 -16.71 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.849 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -57.64 -26.39 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 62.12 110.869 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -87.49 -39.71 14.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -71.7 -17.08 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -55.52 -26.38 42.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.909 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.66 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.943 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mp -47.47 -42.45 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 54.33 111.13 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -82.67 115.36 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 43.12 110.908 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -97.57 -2.67 41.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.906 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.59 16.35 0.96 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 63.01 112.465 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -113.96 100.35 8.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.801 0.334 . . . . 74.4 110.878 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -71.03 81.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 62.51 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 p -71.44 -19.36 62.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.169 -0.469 . . . . 74.12 111.163 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.1 pt -56.29 -25.79 20.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 61.2 111.168 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -13.0 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.076 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -67.09 -16.26 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 63.53 110.969 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.35 -26.06 68.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 74.45 110.91 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -70.68 -27.26 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 72.31 110.858 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -51.99 -59.77 3.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.5 110.915 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.44 ' O ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -73.96 -17.53 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 64.32 111.102 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -19.06 60.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 75.41 110.864 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -73.58 -17.17 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 71.34 110.91 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 27' ' ' ILE . 9.4 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 72.44 111.173 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.918 0.39 . . . . 70.12 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.9 p -143.32 147.58 34.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 52.41 111.177 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -131.18 106.88 8.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.14 110.881 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.614 ' O ' ' N ' ' A' ' 7' ' ' LEU . 57.4 mp0 -96.04 -75.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 72.22 110.872 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -30.73 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 62.22 110.856 -179.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 4' ' ' GLU . 38.8 t -77.34 -40.11 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 75.11 111.141 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' A' ' 4' ' ' GLU . 68.8 tp -72.11 -16.44 62.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 61.21 110.938 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -18.86 22.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.878 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -28.18 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.891 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -91.14 -38.5 12.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 71.43 110.836 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -15.0 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.915 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -53.8 -38.23 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 64.23 110.87 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -70.68 -66.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 72.54 110.901 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.4 mt -48.6 -43.42 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 54.01 111.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -83.64 115.48 22.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 44.33 110.927 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -98.27 -2.68 38.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.938 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.05 26.93 0.25 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 61.05 112.523 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -113.67 99.72 7.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.805 0.336 . . . . 51.43 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -71.09 80.84 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 74.41 110.899 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -18.72 62.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 64.03 111.111 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.2 -26.5 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.21 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -18.67 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 71.25 111.13 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.47 -16.66 63.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.928 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.73 -31.17 72.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 75.52 110.845 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.3 ttt-85 -76.12 -29.16 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.44 110.865 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -53.19 -56.45 16.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 74.02 110.922 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 tt -67.23 -22.55 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 73.42 111.152 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -69.29 -21.14 63.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 65.33 110.869 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -83.82 -26.0 29.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 63.25 110.888 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.137 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.911 0.386 . . . . 74.1 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.01 27.44 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 54.43 111.14 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 54.68 42.57 31.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 65.1 110.867 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.615 ' O ' ' N ' ' A' ' 7' ' ' LEU . 2.8 mt-10 -67.17 -74.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 72.45 110.916 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.497 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -30.61 -42.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 42.2 110.835 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 4' ' ' GLU . 26.3 t -78.71 -39.64 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.09 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' A' ' 4' ' ' GLU . 58.0 tp -68.38 -16.35 63.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 63.53 110.936 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -21.31 22.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.9 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -61.16 -31.05 70.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.87 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.7 mtt-85 -92.76 -39.03 11.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 75.51 110.858 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -70.61 -14.54 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.926 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -36.51 60.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.42 110.917 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -71.05 -67.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 70.04 110.868 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mt -49.08 -43.57 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 64.51 111.151 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -83.65 115.54 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.04 110.856 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -98.47 -2.72 38.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 75.13 110.929 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.06 29.04 0.28 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 15.24 112.519 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.69 96.67 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 60.14 110.941 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -71.35 79.32 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 71.24 110.918 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -17.86 62.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 54.22 111.15 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.3 mt -54.8 -26.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 74.13 111.124 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.47 -18.78 20.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 62.13 111.094 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -17.08 62.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.914 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -64.86 -29.14 70.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 64.12 110.877 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -72.89 -28.43 62.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 65.3 110.862 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -53.0 -55.58 22.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.0 mt -68.22 -22.65 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 62.23 111.105 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -23.29 51.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.881 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -85.16 -25.84 27.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 71.42 110.927 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 73.13 111.13 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.896 0.379 . . . . 74.34 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.0 p -151.52 130.69 12.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 75.41 111.116 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -146.16 123.82 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.899 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.594 ' O ' ' N ' ' A' ' 7' ' ' LEU . 13.1 mp0 -90.89 -74.7 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.856 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.482 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -30.01 -40.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.834 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 4' ' ' GLU . 61.5 t -64.03 -46.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 61.33 111.129 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -77.12 -24.53 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.05 110.907 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.4 mmt -72.79 -14.81 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 70.11 110.903 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -56.03 -25.78 46.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.868 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.418 ' NE ' HD13 ' A' ' 7' ' ' LEU . 15.8 ptp180 -86.82 -37.12 18.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.928 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -71.34 -18.01 62.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 63.25 110.952 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -57.34 -28.29 63.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -69.86 -66.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 60.54 110.915 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 tt -47.93 -42.62 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.191 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -84.06 113.55 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 72.22 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -99.93 -2.74 33.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.964 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.14 -96.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 45.43 112.511 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -102.98 152.67 21.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 73.2 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -70.46 120.76 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 51.54 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -71.78 -16.93 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.03 111.119 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.4 pt -54.38 -23.23 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 64.14 111.128 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.95 -12.01 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 75.4 111.072 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -15.09 62.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.927 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -61.62 -26.17 67.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 75.41 110.911 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -68.64 -26.49 65.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 72.22 110.891 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.06 -55.09 22.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 71.1 110.897 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.9 pt -72.41 -23.47 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 65.3 111.104 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -61.12 -22.69 64.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 65.31 110.896 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -77.62 -25.45 49.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 71.34 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 72.34 111.176 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.943 0.401 . . . . 74.25 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -167.22 138.25 3.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 74.43 111.134 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.52 125.09 14.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 75.24 110.878 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.618 ' O ' ' N ' ' A' ' 7' ' ' LEU . 20.0 mm-40 -117.03 -72.02 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 73.32 110.858 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -31.23 -40.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.911 -179.801 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 4' ' ' GLU . 8.6 p -76.37 -40.34 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 73.45 111.127 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 4' ' ' GLU . 5.9 tp -73.45 -16.51 61.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 44.32 110.896 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -18.54 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.876 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -27.58 55.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 74.02 110.866 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -38.04 13.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.854 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -15.35 63.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.93 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -53.73 -38.49 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.881 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -70.43 -66.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 74.04 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mt -48.34 -43.15 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 64.21 111.138 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -83.49 114.98 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 72.44 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -98.89 -2.94 36.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.52 110.915 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.18 28.17 0.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 72.1 112.489 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -113.69 108.13 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 61.34 110.875 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -71.8 76.65 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 52.05 110.921 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.6 m -71.73 -21.46 61.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 64.01 111.156 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.7 mt -55.92 -24.55 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.45 111.184 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.19 -15.38 9.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 73.33 111.035 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -68.32 -16.54 63.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 60.35 110.93 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.04 -31.01 72.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 73.4 110.899 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -76.1 -27.01 56.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.895 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -52.67 -53.02 53.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 73.53 110.924 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.8 tp -70.52 -23.51 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.14 111.127 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -63.27 -22.71 67.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.883 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -78.54 -25.46 45.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 74.52 110.87 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 73.51 111.144 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.908 0.385 . . . . 74.44 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -137.98 27.43 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 50.25 111.149 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -146.22 112.87 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.831 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.562 ' O ' ' N ' ' A' ' 7' ' ' LEU . 54.9 mp0 -87.08 -75.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 31.34 110.863 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -31.09 -39.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 74.33 110.905 -179.771 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 4' ' ' GLU . 58.8 t -63.33 -47.0 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 53.24 111.078 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 4' ' ' GLU . 7.7 tp -78.79 -20.63 49.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.91 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.54 -14.99 34.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 75.22 110.836 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -25.21 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 72.02 110.849 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -86.91 -38.04 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 52.22 110.896 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' HG3' HD11 ' A' ' 14' ' ' ILE . 2.7 tt0 -70.13 -17.65 63.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 70.41 110.879 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -26.55 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.933 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -68.52 -66.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.502 HD11 ' HG3' ' A' ' 11' ' ' GLN . 9.2 pt -47.84 -41.08 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.32 111.157 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -82.79 114.59 21.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 75.55 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -99.76 -3.64 32.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.62 16.5 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 44.22 112.491 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -114.77 119.26 36.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 74.51 110.901 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -70.22 96.87 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 62.54 110.904 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 p -71.51 -30.01 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.1 111.16 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.9 mt -56.98 -26.5 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 62.43 111.089 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.62 -13.02 11.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 70.45 111.065 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -68.18 -16.4 63.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 74.24 110.932 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -62.6 -28.94 70.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 75.24 110.841 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -70.35 -27.63 64.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.32 110.853 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -52.87 -52.55 57.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 65.44 110.925 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.401 ' O ' HG12 ' A' ' 30' ' ' VAL . 5.8 tp -69.65 -22.69 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 73.11 111.137 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -58.89 -21.05 56.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 63.42 110.872 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.42 -15.31 60.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 72.44 110.897 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 27' ' ' ILE . 7.4 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.23 111.068 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.921 0.391 . . . . 75.21 110.89 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.8 p -93.17 155.91 17.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 74.41 111.173 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -175.72 136.22 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 72.04 110.889 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.62 ' O ' ' N ' ' A' ' 7' ' ' LEU . 14.1 mm-40 -115.42 -61.24 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 72.43 110.898 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.95 -41.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 61.22 110.882 -179.786 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' GLU . 7.8 p -77.3 -39.38 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 65.33 111.165 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.62 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -69.26 -15.24 63.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 73.35 110.917 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.524 ' CG ' HG23 ' A' ' 20' ' ' THR . 1.8 tmt? -55.05 -22.17 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.848 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -61.71 -32.33 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 71.23 110.887 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -93.78 -38.77 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 70.32 110.883 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -14.66 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.914 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -53.17 -38.85 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.43 110.921 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -71.2 -66.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 63.55 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.5 mt -48.22 -43.12 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 74.2 111.102 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -83.26 115.1 21.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 61.12 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -99.14 -2.8 36.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.922 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.87 31.42 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 73.12 112.493 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -113.71 103.38 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 63.54 110.922 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -72.77 70.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 54.43 110.926 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.524 HG23 ' CG ' ' A' ' 8' ' ' MET . 2.4 t -71.71 -17.76 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.41 111.133 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.412 HG23 ' HG3' ' A' ' 8' ' ' MET . 13.4 pt -55.35 -25.86 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 75.12 111.143 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 -15.56 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.53 111.06 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -68.63 -16.79 63.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 73.5 110.937 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -62.75 -31.48 72.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 62.24 110.889 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -76.87 -26.74 54.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.878 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -53.19 -58.97 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 62.2 110.959 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.9 tt -65.45 -23.39 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 60.12 111.17 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -65.4 -22.66 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 72.31 110.873 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -80.51 -25.42 38.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.886 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.12 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.927 0.394 . . . . 74.22 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.6 p -52.4 168.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 50.44 111.146 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.55 138.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 61.22 110.874 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.626 ' O ' ' N ' ' A' ' 7' ' ' LEU . 16.1 mp0 -128.21 -63.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.905 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.88 -40.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.35 110.907 -179.78 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 4' ' ' GLU . 92.3 t -76.48 -40.49 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 54.2 111.141 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.626 ' N ' ' O ' ' A' ' 4' ' ' GLU . 53.7 mt -71.85 -14.98 62.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.9 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.778 ' CE ' HG22 ' A' ' 21' ' ' ILE . 7.8 tmm? -55.94 -20.58 16.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 72.11 110.877 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -29.32 64.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 72.52 110.9 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -92.97 -38.6 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.35 110.871 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -69.92 -14.86 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 63.14 110.895 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -38.72 63.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 70.41 110.87 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -70.96 -66.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 44.53 110.907 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.1 mt -48.32 -43.07 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.152 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -83.15 115.12 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 62.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -99.06 -2.77 36.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 72.33 110.941 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.99 28.47 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 53.22 112.467 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -113.65 102.14 9.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 74.2 110.95 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -71.38 79.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 71.04 110.89 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -17.79 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.3 111.17 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.778 HG22 ' CE ' ' A' ' 8' ' ' MET . 15.7 pt -55.04 -26.9 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 71.32 111.18 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.31 -17.74 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 71.33 111.121 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -70.29 -16.51 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.893 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -31.27 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.909 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -76.89 -26.95 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 70.23 110.835 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.25 -56.08 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.45 ' O ' HG12 ' A' ' 30' ' ' VAL . 25.1 pt -64.04 -23.09 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 72.13 111.111 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -65.28 -17.11 64.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.928 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.71 -19.07 60.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.868 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 27' ' ' ILE . 9.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 75.31 111.121 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.967 0.413 . . . . 64.14 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.7 p -59.56 -179.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 51.55 111.123 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 62.61 37.07 13.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 72.11 110.873 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.591 ' O ' ' N ' ' A' ' 7' ' ' LEU . 58.2 mp0 -58.55 -74.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 62.12 110.893 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -30.71 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 64.1 110.866 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' GLU . 44.4 t -65.7 -45.33 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 73.21 111.141 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.591 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -75.98 -20.94 57.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 65.13 110.917 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.438 ' SD ' HG22 ' A' ' 21' ' ' ILE . 1.6 tmt? -59.75 -18.77 45.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.859 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.4 mmm-85 -60.21 -27.39 67.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.86 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -89.66 -41.74 11.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.862 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.692 ' NE2' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -72.4 -15.68 61.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 55.32 110.941 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -55.22 -26.84 42.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 63.03 110.873 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -69.95 -66.95 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 64.02 110.912 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tt -48.46 -43.75 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 74.31 111.132 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -84.82 113.4 21.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 64.31 110.873 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -102.03 -3.04 28.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.915 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.92 26.06 1.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 41.31 112.513 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -114.6 104.91 12.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.334 . . . . 75.34 110.875 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 p30 -73.4 65.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 71.51 110.902 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.692 HG21 ' NE2' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -71.81 -15.92 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 62.11 111.146 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.438 HG22 ' SD ' ' A' ' 8' ' ' MET . 2.4 pp -53.76 -25.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.52 111.148 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.22 -13.59 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.06 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -67.49 -16.66 64.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 71.4 110.933 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.34 -27.41 63.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 71.32 110.866 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -72.42 -29.89 64.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.816 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -53.08 -54.66 32.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.11 110.916 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.3 tt -63.93 -21.9 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.145 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -69.23 -21.39 63.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.926 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -83.83 -25.91 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 72.01 110.934 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 74.22 111.172 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.933 0.396 . . . . 62.32 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.8 p -138.95 -173.22 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.161 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -173.26 137.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 64.51 110.885 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.61 ' O ' ' N ' ' A' ' 7' ' ' LEU . 19.9 mp0 -86.79 -71.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.898 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -31.18 -39.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 70.35 110.891 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' GLU . 49.1 t -68.1 -44.22 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 75.05 111.137 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' A' ' 4' ' ' GLU . 2.0 tt -76.16 -22.44 55.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.918 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -18.54 52.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 61.11 110.868 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -58.64 -28.13 65.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 54.04 110.884 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -39.59 13.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 43.01 110.888 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.53 -16.36 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.902 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -27.46 37.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.887 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -69.65 -65.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.895 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -48.14 -43.04 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 55.22 111.09 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -83.37 115.11 21.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 55.23 110.871 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -98.62 -2.78 37.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 75.1 110.898 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.43 26.52 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 70.14 112.499 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.69 104.87 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 70.3 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -72.13 74.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 65.33 110.866 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -71.91 -17.56 62.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 64.31 111.166 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.3 mt -54.7 -25.13 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 71.15 111.122 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -16.41 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.02 111.121 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -68.56 -16.75 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 71.52 110.97 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -70.93 -25.67 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.811 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -75.12 -28.49 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.86 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -53.29 -51.52 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.42 110.934 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.472 ' O ' HD13 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -68.35 -23.56 28.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 63.13 111.128 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -69.2 -23.09 63.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 70.24 110.891 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -84.47 -26.15 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.906 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 27' ' ' ILE . 9.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.092 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.94 0.4 . . . . 63.43 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t -67.46 164.01 19.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 70.13 111.147 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -131.74 74.76 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 72.23 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.616 ' O ' ' N ' ' A' ' 7' ' ' LEU . 3.3 mt-10 -83.57 -73.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.896 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -31.48 -40.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.84 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 4' ' ' GLU . 29.8 t -70.82 -42.55 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 75.15 111.125 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.616 ' N ' ' O ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -73.96 -16.97 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 40.1 110.933 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -19.98 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 72.34 110.864 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -59.07 -29.61 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 72.4 110.856 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -91.36 -39.09 12.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.89 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' HA ' HG22 ' A' ' 14' ' ' ILE . 7.5 mm100 -70.78 -14.67 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.11 110.936 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -52.62 -36.23 56.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 61.55 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.13 -66.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.921 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.404 HG22 ' HA ' ' A' ' 11' ' ' GLN . 4.9 tp -48.67 -42.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 71.42 111.141 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -83.35 114.96 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 71.24 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -99.25 -3.01 35.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 61.21 110.912 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.94 43.65 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 63.54 112.471 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.69 120.18 39.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 74.3 110.891 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -73.54 63.64 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 61.24 110.907 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -71.62 -18.99 62.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.159 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.1 mt -56.52 -25.47 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.21 111.127 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.63 -20.01 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 71.21 111.084 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -73.4 -16.91 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.11 110.893 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -72.94 -30.88 64.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 61.34 110.852 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -76.86 -30.71 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -52.08 -57.29 10.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.912 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.3 tt -64.29 -23.5 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 74.43 111.099 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -67.59 -22.75 65.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 63.43 110.915 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -83.82 -25.44 30.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.875 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 72.25 111.17 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.961 0.41 . . . . 74.23 110.866 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.48 156.19 17.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 73.3 111.121 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.83 109.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.825 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 7' ' ' LEU . 6.6 mm-40 -82.31 -62.5 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 71.32 110.916 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -30.63 -42.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.816 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' GLU . 73.9 t -78.7 -39.54 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 60.1 111.095 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 4' ' ' GLU . 11.3 tp -68.05 -16.4 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 62.45 110.959 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -21.49 22.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.889 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -61.47 -31.28 71.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 70.34 110.842 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -93.0 -38.65 11.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 61.32 110.865 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -14.77 62.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.957 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -53.01 -36.24 60.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 65.23 110.897 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -71.15 -66.9 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.905 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.0 mt -49.08 -43.45 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.128 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -83.52 115.23 22.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 53.35 110.914 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -98.83 -2.86 36.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.906 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.38 27.63 0.25 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 72.1 112.481 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.67 99.19 7.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 70.24 110.866 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -71.27 79.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.887 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -17.54 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 64.35 111.143 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -54.64 -25.73 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.41 111.144 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.42 -17.89 15.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 74.3 111.119 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -69.49 -16.88 63.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.886 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.32 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 65.03 110.905 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -75.59 -26.01 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 72.22 110.891 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -54.87 -52.13 63.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.23 110.91 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.521 ' O ' HG12 ' A' ' 30' ' ' VAL . 2.5 mp -74.15 -25.45 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 70.15 111.109 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -58.99 -19.57 44.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.905 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -84.81 -25.28 28.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.54 110.905 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 27' ' ' ILE . 2.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 73.31 111.153 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.933 0.397 . . . . 62.25 110.905 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -151.71 29.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 74.45 111.131 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -138.59 104.87 5.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 71.43 110.853 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.612 ' O ' ' N ' ' A' ' 7' ' ' LEU . 44.2 mm-40 -87.44 -67.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 72.22 110.883 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -31.42 -41.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 72.05 110.858 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' GLU . 85.7 t -76.77 -39.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 75.43 111.083 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 4' ' ' GLU . 12.2 tp -70.84 -15.26 62.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 55.42 110.948 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -55.73 -21.05 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.857 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -60.13 -30.74 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.873 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -94.11 -38.3 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 63.5 110.873 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -13.87 62.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 72.5 110.922 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -51.68 -32.46 29.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -71.22 -66.75 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 62.51 110.925 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mm -49.26 -41.11 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 62.55 111.135 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.477 ' N ' HD22 ' A' ' 15' ' ' ASN . 1.3 m-80 -71.45 114.0 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 70.42 110.864 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -100.31 -3.51 31.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 71.41 110.928 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.59 31.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 70.42 112.471 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -113.97 112.58 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 73.22 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -70.52 85.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 70.35 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.658 HG22 ' HE2' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -71.74 -18.61 62.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 51.5 111.141 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.5 pt -56.13 -27.05 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.42 111.137 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.52 -18.11 17.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.12 111.099 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.658 ' HE2' HG22 ' A' ' 20' ' ' THR . 25.3 m-85 -71.87 -16.16 62.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.927 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.81 -26.1 67.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 65.03 110.877 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -72.59 -26.78 61.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.883 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -53.37 -49.91 66.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 53.24 110.917 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.5 tt -73.6 -23.42 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 73.21 111.099 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -68.75 -22.72 64.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 62.31 110.896 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -83.83 -25.4 30.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 73.32 110.898 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 75.44 111.153 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.904 0.383 . . . . 74.53 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.0 p -103.46 102.0 11.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 62.15 111.165 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -167.98 122.05 0.94 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 75.54 110.913 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.576 ' O ' ' N ' ' A' ' 7' ' ' LEU . 59.3 mp0 -109.98 -75.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 70.24 110.879 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -30.74 -40.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 72.51 110.876 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 4' ' ' GLU . 77.3 t -64.79 -45.83 93.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 65.35 111.121 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 4' ' ' GLU . 5.3 tp -77.31 -20.07 55.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.895 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.4 mmt -60.78 -15.56 31.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 51.3 110.899 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -25.59 23.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 62.43 110.855 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -37.72 16.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.855 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -69.58 -16.49 63.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 70.34 110.876 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -55.44 -34.31 64.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.7 -65.67 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 70.51 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.2 tt -47.77 -42.36 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 50.04 111.13 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -83.49 114.72 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.903 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.86 -2.99 36.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.15 110.964 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.07 22.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 33.53 112.468 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.55 109.84 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 74.44 110.915 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -70.37 84.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.901 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -71.24 -18.87 62.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 54.13 111.114 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pp -55.69 -25.46 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 72.11 111.124 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.16 -17.58 11.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 64.22 111.138 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.59 -16.66 63.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.04 110.961 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.45 -25.73 62.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 62.23 110.895 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.54 -29.16 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.3 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -53.28 -58.47 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 64.04 110.905 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tt -64.46 -22.63 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 74.11 111.127 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -66.37 -22.7 66.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.865 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.79 -25.36 30.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.918 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 72.11 111.098 179.967 . . . . . . . . 0 0 . 1 stop_ save_