data_2md3_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 2md3 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.453 -0.259 . . . . 51.219999999999999 112.453 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -76.32 -26.49 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.733 0.301 . . . . 75.319999999999993 110.867 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -97.94 26.7 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 74.019999999999996 110.89 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 75.530000000000001 110.866 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.479 -0.249 . . . . 73.200000000000003 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -26.63 56.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 74.510000000000005 110.901 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -109.61 30.2 6.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 64.340000000000003 110.944 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.453 -0.259 . . . . 73.109999999999999 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -26.54 55.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 74.219999999999999 110.948 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -106.76 29.27 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 73.209999999999994 110.879 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 74.140000000000001 110.929 179.893 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.491 -0.244 . . . . 64.209999999999994 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -26.49 55.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 73.219999999999999 110.904 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -116.22 27.78 9.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 71.420000000000002 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 63.299999999999997 110.904 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.479 -0.248 . . . . 71.510000000000005 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -26.56 55.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 74.319999999999993 110.89 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -103.68 26.55 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 71.530000000000001 110.937 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 pttt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 73.540000000000006 110.879 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.486 -0.246 . . . . 72.019999999999996 112.486 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -26.53 55.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 74.010000000000005 110.923 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -98.85 26.81 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 110.918 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.47 -0.252 . . . . 72.439999999999998 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -26.55 55.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 74.329999999999998 110.876 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -113.51 29.74 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 71.340000000000003 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 pttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.530000000000001 110.88 179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.246 . . . . 75.5 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -26.51 55.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 74.109999999999999 110.913 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -113.94 26.48 10.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 74.519999999999996 110.897 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 70.5 110.914 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.51 -0.236 . . . . 64.230000000000004 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -26.53 55.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 73.510000000000005 110.917 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -118.13 34.87 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.903 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.150000000000006 110.882 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.485 -0.246 . . . . 72.150000000000006 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -26.57 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 74.329999999999998 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -102.35 28.59 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.230000000000004 110.893 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 75.439999999999998 110.854 179.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.81 0.338 . . . . 74.209999999999994 110.91 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -116.55 -31.16 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.219999999999999 110.903 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.14 21.04 43.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 51.219999999999999 112.453 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -76.32 -26.49 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.733 0.301 . . . . 75.319999999999993 110.867 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -97.94 26.7 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 74.019999999999996 110.89 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -114.34 29.05 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 75.530000000000001 110.866 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.05 -67.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.219999999999999 110.839 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 75.450000000000003 110.843 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.818 0.342 . . . . 75.239999999999995 110.88 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -105.21 -26.57 11.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 75.349999999999994 110.883 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.14 -40.97 98.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 73.200000000000003 112.479 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -26.63 56.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 74.510000000000005 110.901 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -109.61 30.2 6.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 64.340000000000003 110.944 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -27.27 67.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -36.98 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 61.420000000000002 110.861 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.400000000000006 110.907 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.817 0.341 . . . . 65.430000000000007 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -115.43 36.64 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 74.019999999999996 110.872 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.98 25.82 19.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 73.109999999999999 112.453 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -26.54 55.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 74.219999999999999 110.948 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -106.76 29.27 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 73.209999999999994 110.879 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -113.01 -60.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 74.140000000000001 110.929 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.8 p -68.2 -29.43 68.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.871 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 75.519999999999996 110.882 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mttp . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.864 0.364 . . . . 72.040000000000006 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.74 -26.58 15.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 74.209999999999994 110.907 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.17 26.52 14.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 64.209999999999994 112.491 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -26.49 55.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 73.219999999999999 110.904 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -116.22 27.78 9.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 71.420000000000002 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -26.11 68.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 63.299999999999997 110.904 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.6 t -110.2 -26.6 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 70.409999999999997 110.895 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.895 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.803 0.335 . . . . 75.549999999999997 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -76.82 -31.68 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 73.129999999999995 110.855 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.68 -23.9 69.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.754 . . . . 71.510000000000005 112.479 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -26.56 55.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 74.319999999999993 110.89 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -103.68 26.55 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 71.530000000000001 110.937 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -66.46 -26.04 67.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 73.540000000000006 110.879 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -74.01 -44.4 54.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 70.030000000000001 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.889 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.817 0.342 . . . . 75.140000000000001 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -111.6 31.07 6.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 75.530000000000001 110.927 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.76 -51.85 3.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 72.019999999999996 112.486 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -26.53 55.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 74.010000000000005 110.923 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -98.85 26.81 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -37.61 69.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 110.918 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p -92.36 -72.29 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 74.540000000000006 110.841 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 75.129999999999995 110.876 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.824 0.345 . . . . 73.510000000000005 110.928 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -106.36 27.78 8.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 53.439999999999998 110.917 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.55 -41.15 3.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 72.439999999999998 112.47 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -26.55 55.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 74.329999999999998 110.876 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -113.51 29.74 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 71.340000000000003 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -66.05 -28.47 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.530000000000001 110.88 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -47.68 84.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 63.520000000000003 110.86 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 75.25 110.865 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.816 0.341 . . . . 54.530000000000001 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.24 -29.56 12.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.340000000000003 110.854 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.85 31.82 7.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 75.5 112.486 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -26.51 55.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 74.109999999999999 110.913 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -113.94 26.48 10.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 74.519999999999996 110.897 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.38 26.38 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 70.5 110.914 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.03 -34.53 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 72.329999999999998 110.915 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 75.319999999999993 110.872 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.6 pttm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.797 0.332 . . . . 65.549999999999997 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.53 33.28 5.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 75.519999999999996 110.918 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.68 24.66 31.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 64.230000000000004 112.51 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -26.53 55.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 73.510000000000005 110.917 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -118.13 34.87 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.903 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.06 -47.56 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.150000000000006 110.882 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 m -73.27 -53.8 9.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 64.200000000000003 110.87 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 110.841 -179.93 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.813 0.339 . . . . 73.140000000000001 110.856 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.78 28.41 8.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.209999999999994 110.93 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.18 29.94 8.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 72.150000000000006 112.485 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -26.57 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 74.329999999999998 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -102.35 28.59 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.230000000000004 110.893 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -114.43 28.32 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 75.439999999999998 110.854 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.49 -61.53 1.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 73.049999999999997 110.866 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 73.140000000000001 110.872 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.453 -0.259 . . . . 51.219999999999999 112.453 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -76.32 -26.49 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.733 0.301 . . . . 65.409999999999997 110.867 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -97.94 26.7 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 73.319999999999993 110.89 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.129999999999995 110.866 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.479 -0.249 . . . . 73.200000000000003 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -26.63 56.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 74.510000000000005 110.901 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -109.61 30.2 6.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 64.340000000000003 110.944 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.453 -0.259 . . . . 71.230000000000004 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -26.54 55.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 71.030000000000001 110.948 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -106.76 29.27 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 73.209999999999994 110.879 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 62.229999999999997 110.929 179.893 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.491 -0.244 . . . . 64.120000000000005 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -26.49 55.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 73.219999999999999 110.904 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -116.22 27.78 9.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 61.439999999999998 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 62.409999999999997 110.904 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.479 -0.248 . . . . 71.510000000000005 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -26.56 55.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 73.299999999999997 110.89 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -103.68 26.55 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 60.130000000000003 110.937 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 pttt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 73.540000000000006 110.879 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.486 -0.246 . . . . 72.019999999999996 112.486 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -26.53 55.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 73.219999999999999 110.923 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -98.85 26.81 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 110.918 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.47 -0.252 . . . . 72.439999999999998 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -26.55 55.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 74.329999999999998 110.876 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -113.51 29.74 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 51.229999999999997 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 pttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.530000000000001 110.88 179.923 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.246 . . . . 55.210000000000001 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -26.51 55.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 73.420000000000002 110.913 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -113.94 26.48 10.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 74.519999999999996 110.897 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 70.5 110.914 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.51 -0.236 . . . . 61.549999999999997 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -26.53 55.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 73.510000000000005 110.917 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -118.13 34.87 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.903 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 65.519999999999996 110.882 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.485 -0.246 . . . . 54.530000000000001 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -26.57 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 74.329999999999998 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -102.35 28.59 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.893 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 71.019999999999996 110.854 179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.81 0.338 . . . . 51.229999999999997 110.91 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -116.55 -31.16 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 64.209999999999994 110.903 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.14 21.04 43.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 51.219999999999999 112.453 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -76.32 -26.49 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.733 0.301 . . . . 65.409999999999997 110.867 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -97.94 26.7 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 73.319999999999993 110.89 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -114.34 29.05 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.129999999999995 110.866 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.05 -67.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 53.039999999999999 110.839 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 73.109999999999999 110.843 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.818 0.342 . . . . 65.420000000000002 110.88 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -105.21 -26.57 11.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 75.349999999999994 110.883 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.14 -40.97 98.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 73.200000000000003 112.479 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -26.63 56.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 74.510000000000005 110.901 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -109.61 30.2 6.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 64.340000000000003 110.944 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -27.27 67.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -36.98 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 44.039999999999999 110.861 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.150000000000006 110.907 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.817 0.341 . . . . 63.340000000000003 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -115.43 36.64 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 72.25 110.872 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.98 25.82 19.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 71.230000000000004 112.453 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -26.54 55.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 71.030000000000001 110.948 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -106.76 29.27 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 73.209999999999994 110.879 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -113.01 -60.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 62.229999999999997 110.929 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.8 p -68.2 -29.43 68.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.871 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 110.882 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mttp . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.864 0.364 . . . . 71.299999999999997 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.74 -26.58 15.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 74.209999999999994 110.907 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.17 26.52 14.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 64.120000000000005 112.491 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -26.49 55.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 73.219999999999999 110.904 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -116.22 27.78 9.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 61.439999999999998 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -26.11 68.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 62.409999999999997 110.904 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.6 t -110.2 -26.6 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 70.409999999999997 110.895 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 73.430000000000007 110.895 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.803 0.335 . . . . 53.310000000000002 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -76.82 -31.68 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 63.32 110.855 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.68 -23.9 69.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.754 . . . . 71.510000000000005 112.479 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -26.56 55.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 73.299999999999997 110.89 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -103.68 26.55 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 60.130000000000003 110.937 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -66.46 -26.04 67.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 73.540000000000006 110.879 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -74.01 -44.4 54.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 70.030000000000001 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.889 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.817 0.342 . . . . 75.140000000000001 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -111.6 31.07 6.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 75.530000000000001 110.927 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.76 -51.85 3.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 72.019999999999996 112.486 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -26.53 55.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 73.219999999999999 110.923 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -98.85 26.81 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -37.61 69.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 110.918 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p -92.36 -72.29 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 61.229999999999997 110.841 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 75.129999999999995 110.876 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.824 0.345 . . . . 73.510000000000005 110.928 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -106.36 27.78 8.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 53.439999999999998 110.917 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.55 -41.15 3.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 72.439999999999998 112.47 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -26.55 55.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 74.329999999999998 110.876 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -113.51 29.74 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 51.229999999999997 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -66.05 -28.47 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.530000000000001 110.88 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -47.68 84.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 63.520000000000003 110.86 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.030000000000001 110.865 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.816 0.341 . . . . 54.530000000000001 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.24 -29.56 12.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.340000000000003 110.854 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.85 31.82 7.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 55.210000000000001 112.486 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -26.51 55.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 73.420000000000002 110.913 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -113.94 26.48 10.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 74.519999999999996 110.897 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.38 26.38 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 70.5 110.914 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.03 -34.53 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 62.450000000000003 110.915 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 74.439999999999998 110.872 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.6 pttm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.797 0.332 . . . . 53.210000000000001 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.53 33.28 5.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 72.219999999999999 110.918 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.68 24.66 31.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 61.549999999999997 112.51 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -26.53 55.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 73.510000000000005 110.917 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -118.13 34.87 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.903 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.06 -47.56 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 65.519999999999996 110.882 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 m -73.27 -53.8 9.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 64.200000000000003 110.87 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 61.340000000000003 110.841 -179.93 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.813 0.339 . . . . 73.140000000000001 110.856 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.78 28.41 8.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.209999999999994 110.93 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.18 29.94 8.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 54.530000000000001 112.485 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -26.57 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 74.329999999999998 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -102.35 28.59 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.893 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -114.43 28.32 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 71.019999999999996 110.854 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.49 -61.53 1.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 64.430000000000007 110.866 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 73.140000000000001 110.872 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.453 -0.259 . . . . 51.219999999999999 112.453 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -76.32 -26.49 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.733 0.301 . . . . 65.409999999999997 110.867 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -97.94 26.7 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 73.319999999999993 110.89 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.129999999999995 110.866 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.479 -0.249 . . . . 73.200000000000003 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -26.63 56.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 74.510000000000005 110.901 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -109.61 30.2 6.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 64.340000000000003 110.944 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.453 -0.259 . . . . 71.230000000000004 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -26.54 55.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 71.030000000000001 110.948 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -106.76 29.27 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 73.209999999999994 110.879 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 62.229999999999997 110.929 179.893 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.491 -0.244 . . . . 64.120000000000005 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -26.49 55.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 73.219999999999999 110.904 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -116.22 27.78 9.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 61.439999999999998 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 62.409999999999997 110.904 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.479 -0.248 . . . . 71.510000000000005 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -26.56 55.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 73.299999999999997 110.89 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -103.68 26.55 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 60.130000000000003 110.937 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 pttt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 73.540000000000006 110.879 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.486 -0.246 . . . . 72.019999999999996 112.486 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -26.53 55.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 73.219999999999999 110.923 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -98.85 26.81 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 110.918 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.47 -0.252 . . . . 72.439999999999998 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -26.55 55.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 74.329999999999998 110.876 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -113.51 29.74 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 51.229999999999997 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 pttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.530000000000001 110.88 179.923 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.246 . . . . 55.210000000000001 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -26.51 55.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 73.420000000000002 110.913 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -113.94 26.48 10.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 74.519999999999996 110.897 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 70.5 110.914 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.51 -0.236 . . . . 61.549999999999997 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -26.53 55.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 73.510000000000005 110.917 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -118.13 34.87 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.903 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 65.519999999999996 110.882 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.485 -0.246 . . . . 54.530000000000001 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -26.57 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 74.329999999999998 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -102.35 28.59 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.893 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 71.019999999999996 110.854 179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.81 0.338 . . . . 51.229999999999997 110.91 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -116.55 -31.16 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 64.209999999999994 110.903 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.14 21.04 43.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 51.219999999999999 112.453 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -76.32 -26.49 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.733 0.301 . . . . 65.409999999999997 110.867 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -97.94 26.7 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 73.319999999999993 110.89 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -114.34 29.05 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.129999999999995 110.866 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.05 -67.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 53.039999999999999 110.839 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 73.109999999999999 110.843 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.818 0.342 . . . . 65.420000000000002 110.88 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -105.21 -26.57 11.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 75.349999999999994 110.883 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.14 -40.97 98.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 73.200000000000003 112.479 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -26.63 56.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 74.510000000000005 110.901 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -109.61 30.2 6.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 64.340000000000003 110.944 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -27.27 67.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -36.98 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 44.039999999999999 110.861 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.150000000000006 110.907 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.817 0.341 . . . . 63.340000000000003 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -115.43 36.64 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 72.25 110.872 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.98 25.82 19.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 71.230000000000004 112.453 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -26.54 55.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 71.030000000000001 110.948 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -106.76 29.27 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 73.209999999999994 110.879 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -113.01 -60.82 1.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 62.229999999999997 110.929 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.8 p -68.2 -29.43 68.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.871 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 110.882 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mttp . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.864 0.364 . . . . 71.299999999999997 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.74 -26.58 15.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 74.209999999999994 110.907 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.17 26.52 14.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 64.120000000000005 112.491 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -26.49 55.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 73.219999999999999 110.904 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -116.22 27.78 9.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 61.439999999999998 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -26.11 68.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 62.409999999999997 110.904 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.6 t -110.2 -26.6 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 70.409999999999997 110.895 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 73.430000000000007 110.895 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.803 0.335 . . . . 53.310000000000002 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -76.82 -31.68 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 63.32 110.855 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.68 -23.9 69.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.754 . . . . 71.510000000000005 112.479 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -26.56 55.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 73.299999999999997 110.89 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -103.68 26.55 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 60.130000000000003 110.937 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -66.46 -26.04 67.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 73.540000000000006 110.879 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -74.01 -44.4 54.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 70.030000000000001 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.889 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.817 0.342 . . . . 75.140000000000001 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -111.6 31.07 6.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 75.530000000000001 110.927 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.76 -51.85 3.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 72.019999999999996 112.486 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -26.53 55.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 73.219999999999999 110.923 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -98.85 26.81 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -37.61 69.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 110.918 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p -92.36 -72.29 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 61.229999999999997 110.841 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 75.129999999999995 110.876 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.824 0.345 . . . . 73.510000000000005 110.928 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -106.36 27.78 8.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 53.439999999999998 110.917 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.55 -41.15 3.98 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 72.439999999999998 112.47 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -26.55 55.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 74.329999999999998 110.876 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -113.51 29.74 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 51.229999999999997 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -66.05 -28.47 68.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.530000000000001 110.88 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -47.68 84.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 63.520000000000003 110.86 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.030000000000001 110.865 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.816 0.341 . . . . 54.530000000000001 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.24 -29.56 12.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.340000000000003 110.854 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.85 31.82 7.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 55.210000000000001 112.486 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -26.51 55.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 73.420000000000002 110.913 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -113.94 26.48 10.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 74.519999999999996 110.897 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.38 26.38 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 70.5 110.914 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.03 -34.53 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 62.450000000000003 110.915 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 74.439999999999998 110.872 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.6 pttm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.797 0.332 . . . . 53.210000000000001 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.53 33.28 5.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 72.219999999999999 110.918 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.68 24.66 31.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 61.549999999999997 112.51 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -26.53 55.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 73.510000000000005 110.917 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -118.13 34.87 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.903 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.06 -47.56 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 65.519999999999996 110.882 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 m -73.27 -53.8 9.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 64.200000000000003 110.87 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 61.340000000000003 110.841 -179.93 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.813 0.339 . . . . 73.140000000000001 110.856 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.78 28.41 8.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.209999999999994 110.93 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.18 29.94 8.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 54.530000000000001 112.485 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -26.57 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 74.329999999999998 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -102.35 28.59 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.893 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -114.43 28.32 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 71.019999999999996 110.854 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.49 -61.53 1.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 64.430000000000007 110.866 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 73.140000000000001 110.872 -179.946 . . . . . . . . 1 1 . 1 stop_ save_