data_2l7c_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 2l7c _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.3 t80 . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.97 0.414 . . . . 73.23 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -27.16 61.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 75.11 111.109 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -24.63 59.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.969 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.04 -19.83 69.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 62.13 112.444 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.01 -14.42 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.819 0.342 . . . . 71.03 111.144 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -43.84 16.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.896 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -71.25 -58.74 3.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.16 -0.473 . . . . 64.54 110.916 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.6 mm -54.97 -26.35 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 74.25 111.086 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.32 -27.74 25.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.802 -0.713 . . . . 72.43 112.499 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -100.2 -26.38 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 75.11 110.924 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -22.31 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 74.44 110.93 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -79.03 -25.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 72.34 111.128 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.56 26.99 8.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 75.31 110.907 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 72.4 110.797 -179.77 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.972 0.415 . . . . 73.23 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -23.49 65.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 75.11 111.155 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -56.33 -25.14 47.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.919 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.45 -14.21 64.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 62.13 112.484 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.9 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 71.03 111.081 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -86.59 -31.1 21.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.23 110.899 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.02 -37.29 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 64.54 110.944 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -69.09 -25.06 28.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 74.25 111.107 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.87 -27.12 43.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 72.43 112.52 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 -23.7 12.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 75.11 110.933 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.4 tpt -60.16 -22.37 62.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.844 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.7 t -77.27 -32.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 72.34 111.142 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -109.18 22.25 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 75.31 110.93 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.4 110.865 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.0 t80 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.931 0.396 . . . . 73.23 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -23.64 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.11 111.156 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -25.53 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.86 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.32 -11.91 85.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 62.13 112.482 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.82 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.713 0.292 . . . . 71.03 111.084 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -78.62 -58.59 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 71.23 110.884 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.23 -48.88 79.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.894 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -58.2 -25.89 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 74.25 111.102 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.05 -25.79 32.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 72.43 112.489 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.91 -26.23 10.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 75.11 110.953 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ttp -64.3 -22.37 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.932 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.0 t -73.01 -31.08 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.34 111.112 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.55 24.71 9.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.946 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.407 . . . . 72.4 110.824 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 47.1 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.949 0.404 . . . . 73.23 110.823 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -23.49 65.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 75.11 111.122 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -25.11 48.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.871 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.46 -14.2 64.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 62.13 112.468 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.09 24.88 4.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 71.03 111.057 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.31 -54.01 4.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 71.23 110.847 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -59.0 -34.39 71.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 64.54 110.992 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.9 mm -62.54 -25.21 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 74.25 111.169 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.34 -24.33 37.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 72.43 112.489 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 -25.98 11.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 75.11 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 mtm -59.86 -22.2 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.899 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.22 -26.89 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.144 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -77.23 -18.96 57.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.832 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.989 0.423 . . . . 72.4 110.82 -179.73 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.937 0.398 . . . . 73.23 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -23.5 65.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 75.11 111.111 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.35 -25.16 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 72.44 110.898 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.5 -14.1 64.23 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.687 -0.768 . . . . 62.13 112.431 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.1 24.78 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 71.03 111.124 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -69.23 -53.36 20.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 71.23 110.851 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -57.64 -26.33 61.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 64.54 110.949 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.07 -27.59 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 74.25 111.07 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.13 -27.91 24.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.724 . . . . 72.43 112.523 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -103.43 -26.05 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 75.11 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.8 ttp -66.9 -22.34 65.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.896 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.5 t -86.2 -27.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 72.34 111.138 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -74.1 -19.04 60.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.874 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.987 0.422 . . . . 72.4 110.871 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.966 0.412 . . . . 73.23 110.918 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -25.43 61.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 75.11 111.083 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -58.18 -24.54 59.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 72.44 110.946 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.67 -19.72 70.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 62.13 112.463 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.83 -14.38 62.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 71.03 111.177 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -77.27 -30.79 54.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 71.23 111.001 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -78.08 -54.49 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 64.54 110.926 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.4 mm -57.32 -26.36 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 74.25 111.11 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -26.74 29.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 72.43 112.506 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -105.05 -26.14 12.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 75.11 110.896 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -22.37 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.92 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.3 t -77.84 -26.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.34 111.077 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -117.39 24.79 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 75.31 110.934 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 72.4 110.875 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.915 0.388 . . . . 73.23 110.902 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.04 -25.28 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 75.11 111.125 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -24.62 60.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 72.44 110.879 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.87 -19.8 69.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 62.13 112.463 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.14 -14.36 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 71.03 111.122 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -35.65 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 71.23 110.969 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -79.63 -26.5 41.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 64.54 110.969 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.04 -25.35 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 74.25 111.135 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.3 -28.53 27.61 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.852 -0.69 . . . . 72.43 112.514 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -103.87 -26.63 12.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.704 0.288 . . . . 75.11 110.916 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -22.2 64.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.882 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -86.84 -29.91 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.43 . . . . 72.34 111.104 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -106.25 24.79 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.928 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.4 110.836 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.922 0.391 . . . . 73.23 110.806 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -25.38 59.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 75.11 111.14 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -24.45 63.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 72.44 110.926 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.36 -19.69 68.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 62.13 112.5 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.58 -14.36 61.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.74 0.305 . . . . 71.03 111.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -26.67 68.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 71.23 110.983 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -75.56 -47.31 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 64.54 110.964 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -62.98 -27.37 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 74.25 111.145 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.44 -27.88 26.79 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.867 -0.682 . . . . 72.43 112.551 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -105.32 -26.05 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 75.11 110.884 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 tpp -58.57 -22.42 55.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.946 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.96 -30.57 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.34 111.171 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -116.1 24.8 11.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 72.4 110.941 -179.85 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.873 0.368 . . . . 73.23 110.884 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -23.53 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 75.11 111.201 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -56.36 -25.17 48.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.44 110.88 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.31 -14.27 64.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 62.13 112.536 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.11 24.87 4.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 71.03 111.006 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -86.46 -64.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 71.23 110.903 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -64.88 -26.46 68.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 64.54 110.876 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mm -65.23 -25.25 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.25 111.127 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.34 -28.16 26.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.68 -0.772 . . . . 72.43 112.518 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -100.63 -26.02 13.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.801 0.334 . . . . 75.11 110.919 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.8 mmt -61.87 -22.2 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.911 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -77.22 -30.82 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 72.34 111.126 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.45 24.99 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.87 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 72.4 110.824 -179.856 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.877 0.37 . . . . 73.23 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -25.45 62.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.11 111.163 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -24.62 59.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 72.44 110.955 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.03 -19.84 69.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 62.13 112.471 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.07 -14.47 59.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.311 . . . . 71.03 110.978 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -69.2 -48.01 63.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 71.23 110.905 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -60.17 -65.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 64.54 110.953 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -53.98 -27.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 74.25 111.071 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.46 -27.58 26.1 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.782 -0.723 . . . . 72.43 112.491 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -26.0 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 75.11 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -22.24 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 74.44 110.888 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -80.18 -31.67 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 72.34 111.136 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -101.08 21.9 13.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 75.31 110.869 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.4 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 72.4 110.863 -179.859 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.981 0.42 . . . . 73.23 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -23.7 65.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 75.11 111.113 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -56.33 -25.3 48.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 72.44 110.838 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.58 -13.93 64.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.734 . . . . 62.13 112.515 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.11 24.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 71.03 111.115 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -86.35 -46.17 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 71.23 110.956 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -27.89 65.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.941 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.2 mm -60.47 -25.37 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 74.25 111.13 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.2 -27.78 24.56 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.668 -0.777 . . . . 72.43 112.459 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -100.48 -26.5 13.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 75.11 110.845 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.5 mmm -64.53 -22.27 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.866 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.61 -25.84 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 72.34 111.196 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -96.59 24.63 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 75.31 110.898 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 72.4 110.866 -179.823 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.945 0.403 . . . . 73.23 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -25.07 66.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 75.11 111.111 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -58.61 -24.64 61.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.96 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.23 -19.14 75.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.642 -0.79 . . . . 62.13 112.453 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.15 -14.31 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 71.03 111.062 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.48 -36.99 82.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 71.23 110.981 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -76.76 -43.76 35.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 64.54 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.68 -25.62 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 74.25 111.141 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.35 -27.78 25.79 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.807 -0.711 . . . . 72.43 112.416 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -107.47 -26.17 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 75.11 110.905 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -22.37 64.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.924 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -82.75 -31.32 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 72.34 111.158 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -66.84 -19.05 65.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.494 . . . . 75.31 110.889 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 72.4 110.844 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.996 0.427 . . . . 73.23 110.923 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -23.43 65.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 75.11 111.163 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -56.25 -25.18 46.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 72.44 110.943 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.27 -14.27 64.4 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.669 -0.777 . . . . 62.13 112.513 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.81 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 71.03 111.127 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -29.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 71.23 110.811 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -52.3 10.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 64.54 110.917 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -55.92 -25.26 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 74.25 111.144 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.04 -24.56 35.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.778 -0.725 . . . . 72.43 112.5 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -106.02 -25.96 11.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.793 0.33 . . . . 75.11 110.955 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -22.24 62.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.857 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -72.31 -27.81 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 72.34 111.109 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -81.96 -19.01 41.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.831 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 72.4 110.878 -179.811 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.93 0.395 . . . . 73.23 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -26.03 62.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 75.11 111.166 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -56.89 -24.51 52.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.908 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.11 -19.77 68.98 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.662 -0.78 . . . . 62.13 112.515 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.36 -14.39 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 71.03 111.102 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -79.78 -55.39 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 71.23 110.893 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -55.6 -49.4 72.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 64.54 110.901 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.2 mm -58.6 -25.58 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 74.25 111.16 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.51 -28.44 28.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.693 -0.765 . . . . 72.43 112.538 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -106.07 -26.54 11.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 75.11 110.871 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -22.26 66.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.265 -0.425 . . . . 74.44 110.893 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.9 t -76.87 -29.49 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 72.34 111.155 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -113.67 24.88 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.917 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 72.4 110.836 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.3 t80 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.834 0.35 . . . . 73.23 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -23.57 65.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 75.11 111.089 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -56.25 -25.16 46.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.935 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.43 -14.27 64.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 62.13 112.414 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.01 24.8 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.762 0.315 . . . . 71.03 111.05 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -86.58 -44.0 12.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.88 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -72.77 -54.35 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 64.54 110.937 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.26 -25.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 74.25 111.094 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.32 -26.69 30.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.669 -0.776 . . . . 72.43 112.487 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -110.57 -26.26 9.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.7 0.286 . . . . 75.11 110.89 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttp -60.05 -22.36 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 74.44 110.882 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.5 t -75.8 -29.96 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.34 111.172 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -117.49 24.7 10.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.099 -0.501 . . . . 75.31 110.907 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 72.4 110.909 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.973 0.416 . . . . 73.23 110.877 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -25.5 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 75.11 111.146 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -61.26 -24.46 66.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 72.44 110.877 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.28 -19.82 68.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.718 . . . . 62.13 112.417 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.27 -14.41 62.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 71.03 111.076 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.6 -41.69 99.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.922 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -70.61 -60.73 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 64.54 110.981 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.09 -26.56 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.527 . . . . 74.25 111.146 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.66 -27.46 27.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 72.43 112.511 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.04 -26.31 12.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 75.11 110.875 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.4 mmt -61.61 -22.38 65.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 74.44 110.959 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.6 t -79.86 -27.13 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 72.34 111.117 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -96.28 21.61 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.931 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 72.4 110.794 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.809 0.338 . . . . 73.23 110.808 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -25.93 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.11 111.168 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -24.45 56.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 72.44 110.939 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.65 -20.4 71.36 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.601 -0.809 . . . . 62.13 112.461 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.36 -14.3 60.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 71.03 111.095 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -33.11 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 71.23 110.987 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -78.43 -33.93 48.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 64.54 110.932 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -62.36 -25.2 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 74.25 111.136 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.66 -28.3 29.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.682 -0.771 . . . . 72.43 112.502 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -101.74 -26.07 13.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.342 . . . . 75.11 110.855 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -22.07 66.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 74.44 110.838 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.01 -27.62 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 72.34 111.117 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -104.62 21.5 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 75.31 110.95 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.854 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.94 0.4 . . . . 73.23 110.933 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.29 -30.56 60.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 75.11 111.241 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -57.49 -24.59 56.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 72.44 110.87 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.36 -19.65 68.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.697 -0.763 . . . . 62.13 112.531 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.13 -14.37 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 71.03 111.15 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -69.53 -38.51 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 71.23 110.923 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.25 -57.71 5.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 64.54 110.934 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 mp -56.24 -25.91 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 74.25 111.188 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.52 -26.48 31.08 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 72.43 112.528 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.71 -26.28 12.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 75.11 110.935 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 84.2 mmm -57.71 -23.42 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.896 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -81.28 -25.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.34 111.143 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.19 25.41 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.95 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 72.4 110.768 -179.81 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.055 0.455 . . . . 73.23 110.999 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -24.7 66.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.046 -0.524 . . . . 75.11 111.117 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -25.25 43.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.956 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.36 -17.96 72.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 62.13 112.463 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.59 -14.6 60.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.81 0.338 . . . . 71.03 111.073 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.74 -38.55 70.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.264 -0.426 . . . . 71.23 110.934 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -37.86 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 64.54 110.964 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.9 mm -67.76 -27.74 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 74.25 111.098 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.8 24.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.717 . . . . 72.43 112.524 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.32 -25.96 11.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.706 0.289 . . . . 75.11 110.861 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -22.28 66.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 74.44 110.931 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.2 t -87.93 -26.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 72.34 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -90.56 -18.99 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.924 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 72.4 110.805 -179.802 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.984 0.421 . . . . 73.23 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -25.57 68.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 75.11 111.125 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -58.68 -24.61 61.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.892 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.25 -20.31 69.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 62.13 112.547 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.48 -14.6 62.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 71.03 111.048 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -37.77 54.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.96 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -47.18 28.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 64.54 110.887 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 mm -62.1 -26.64 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 74.25 111.064 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.84 -27.47 28.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.661 -0.78 . . . . 72.43 112.477 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -104.81 -26.17 12.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 75.11 110.869 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.1 ttp -61.34 -22.26 64.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.935 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.8 t -73.69 -32.3 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 72.34 111.136 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.22 24.94 12.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 72.4 110.802 -179.821 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 53.4 p90 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.91 0.386 . . . . 73.23 110.888 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -25.6 66.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 75.11 111.183 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -57.89 -24.54 58.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 72.44 110.928 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.69 -19.9 72.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.686 -0.769 . . . . 62.13 112.471 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.33 -14.32 60.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 71.03 111.17 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -33.42 75.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 71.23 110.846 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.9 -60.82 2.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 64.54 110.95 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.74 -27.71 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 74.25 111.208 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.16 -27.92 24.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 72.43 112.523 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.29 -26.18 12.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.72 0.295 . . . . 75.11 110.888 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.8 mmt -59.9 -22.17 62.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.91 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -71.01 -31.14 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 72.34 111.106 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -115.95 24.66 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.948 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.829 -179.89 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.931 0.396 . . . . 73.23 110.821 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.26 -26.84 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 75.11 111.158 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -57.93 -24.55 58.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.836 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.55 -19.99 69.93 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.75 -0.738 . . . . 62.13 112.49 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.09 -14.46 62.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 71.03 111.095 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -70.45 -47.71 59.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 71.23 110.942 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -48.43 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 64.54 110.891 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.6 mm -60.61 -25.49 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 74.25 111.144 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.9 -26.2 32.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 72.43 112.45 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -26.64 12.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 75.11 110.898 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -22.18 64.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.844 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -78.17 -30.87 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.381 . . . . 72.34 111.11 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.22 24.78 10.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.884 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.85 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.945 0.402 . . . . 73.23 110.814 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.99 -27.02 7.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 75.11 111.165 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -28.9 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.9 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.41 -10.67 65.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 62.13 112.467 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.19 -14.88 63.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 71.03 111.083 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.4 -30.47 33.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 71.23 110.935 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.29 -54.43 33.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 64.54 110.955 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -57.98 -26.72 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.25 111.174 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -26.78 29.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.813 -0.708 . . . . 72.43 112.432 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -106.19 -26.27 11.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 75.11 110.887 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -58.87 -22.24 58.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.923 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.4 t -76.45 -31.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.34 111.087 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -95.7 20.5 9.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.997 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 72.4 110.907 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.582 0.705 . . . . 73.11 110.947 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 83.21 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 74.54 112.316 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -101.63 -26.36 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 73.23 110.939 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -27.16 61.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 75.11 111.109 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -24.63 59.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.969 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.04 -19.83 69.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 62.13 112.444 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.01 -14.42 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.819 0.342 . . . . 71.03 111.144 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -43.84 16.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.896 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -71.25 -58.74 3.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.16 -0.473 . . . . 64.54 110.916 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.6 mm -54.97 -26.35 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 74.25 111.086 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.32 -27.74 25.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.802 -0.713 . . . . 72.43 112.499 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -100.2 -26.38 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 75.11 110.924 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -22.31 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 74.44 110.93 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -79.03 -25.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 72.34 111.128 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.56 26.99 8.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 75.31 110.907 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 t -93.36 42.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 72.4 110.797 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.89 41.53 6.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 75.11 110.988 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.44 -47.51 2.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 65.24 112.536 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 74.34 110.931 -179.83 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.59 0.709 . . . . 73.11 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 100.3 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.721 2.281 . . . . 74.54 112.4 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -114.11 -26.26 8.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.903 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -23.49 65.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 75.11 111.155 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -56.33 -25.14 47.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.919 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.45 -14.21 64.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 62.13 112.484 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.9 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 71.03 111.081 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -86.59 -31.1 21.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.23 110.899 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.02 -37.29 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 64.54 110.944 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -69.09 -25.06 28.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 74.25 111.107 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.87 -27.12 43.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 72.43 112.52 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 -23.7 12.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 75.11 110.933 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.4 tpt -60.16 -22.37 62.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.844 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.7 t -77.27 -32.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 72.34 111.142 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -109.18 22.25 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 75.31 110.93 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.95 26.52 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.4 110.865 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -168.42 29.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.902 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.77 45.16 77.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.659 -0.781 . . . . 65.24 112.465 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 74.34 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.534 0.683 . . . . 73.11 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.75 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 74.54 112.344 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -178.01 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.854 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -23.64 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.11 111.156 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -25.53 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.86 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.32 -11.91 85.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 62.13 112.482 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.82 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.713 0.292 . . . . 71.03 111.084 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -78.62 -58.59 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 71.23 110.884 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.23 -48.88 79.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.894 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -58.2 -25.89 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 74.25 111.102 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.05 -25.79 32.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 72.43 112.489 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.91 -26.23 10.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 75.11 110.953 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ttp -64.3 -22.37 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.932 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.0 t -73.01 -31.08 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.34 111.112 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.55 24.71 9.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.946 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.0 26.5 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.407 . . . . 72.4 110.824 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tptm -169.37 30.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.11 110.907 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.04 41.49 27.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 65.24 112.516 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.5 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 74.34 110.893 -179.813 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.611 0.72 . . . . 73.11 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 105.86 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.25 . . . . 74.54 112.31 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -111.02 -26.14 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 73.23 110.823 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -23.49 65.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 75.11 111.122 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -25.11 48.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.871 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.46 -14.2 64.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 62.13 112.468 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.09 24.88 4.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 71.03 111.057 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.31 -54.01 4.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 71.23 110.847 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -59.0 -34.39 71.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 64.54 110.992 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.9 mm -62.54 -25.21 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 74.25 111.169 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.34 -24.33 37.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 72.43 112.489 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 -25.98 11.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 75.11 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 mtm -59.86 -22.2 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.899 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.22 -26.89 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.144 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -77.23 -18.96 57.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.832 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.2 p -96.01 26.09 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.989 0.423 . . . . 72.4 110.82 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -166.55 28.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 75.11 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.46 -20.89 7.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 65.24 112.47 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.4 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 74.34 110.924 -179.785 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.662 0.744 . . . . 73.11 110.943 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 107.13 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.609 2.206 . . . . 74.54 112.326 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -111.56 -26.12 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.859 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -23.5 65.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 75.11 111.111 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.35 -25.16 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 72.44 110.898 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.5 -14.1 64.23 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.687 -0.768 . . . . 62.13 112.431 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.1 24.78 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 71.03 111.124 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -69.23 -53.36 20.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 71.23 110.851 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -57.64 -26.33 61.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 64.54 110.949 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.07 -27.59 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 74.25 111.07 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.13 -27.91 24.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.724 . . . . 72.43 112.523 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -103.43 -26.05 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 75.11 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.8 ttp -66.9 -22.34 65.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.896 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.5 t -86.2 -27.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 72.34 111.138 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -74.1 -19.04 60.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.874 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.0 26.37 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.987 0.422 . . . . 72.4 110.871 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -170.73 31.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 75.11 110.919 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.13 -44.91 27.68 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.768 . . . . 65.24 112.534 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.39 . . . . 74.34 110.85 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.6 0.714 . . . . 73.11 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 116.94 4.79 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.257 . . . . 74.54 112.353 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -103.85 -29.03 11.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.918 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -25.43 61.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 75.11 111.083 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -58.18 -24.54 59.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 72.44 110.946 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.67 -19.72 70.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 62.13 112.463 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.83 -14.38 62.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 71.03 111.177 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -77.27 -30.79 54.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 71.23 111.001 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -78.08 -54.49 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 64.54 110.926 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.4 mm -57.32 -26.36 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 74.25 111.11 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -26.74 29.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 72.43 112.506 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -105.05 -26.14 12.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 75.11 110.896 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -22.37 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.92 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.3 t -77.84 -26.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.34 111.077 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -117.39 24.79 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 75.31 110.934 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -95.98 26.46 4.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 72.4 110.875 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.6 31.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 75.11 110.884 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.51 -29.83 13.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.746 . . . . 65.24 112.48 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 74.34 110.923 -179.781 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.605 0.717 . . . . 73.11 110.86 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.9 85.52 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.225 . . . . 74.54 112.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -110.49 -26.85 9.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 73.23 110.902 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.04 -25.28 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 75.11 111.125 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -24.62 60.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 72.44 110.879 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.87 -19.8 69.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 62.13 112.463 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.14 -14.36 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 71.03 111.122 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -35.65 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 71.23 110.969 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -79.63 -26.5 41.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 64.54 110.969 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.04 -25.35 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 74.25 111.135 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.3 -28.53 27.61 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.852 -0.69 . . . . 72.43 112.514 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -103.87 -26.63 12.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.704 0.288 . . . . 75.11 110.916 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -22.2 64.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.882 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -86.84 -29.91 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.43 . . . . 72.34 111.104 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -106.25 24.79 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.928 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.98 26.42 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.4 110.836 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -173.31 34.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 75.11 110.894 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.94 -36.63 9.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 65.24 112.535 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 74.34 110.955 -179.853 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.658 0.742 . . . . 73.11 110.943 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 99.2 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.623 2.215 . . . . 74.54 112.436 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.35 -26.27 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.806 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -25.38 59.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 75.11 111.14 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -24.45 63.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 72.44 110.926 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.36 -19.69 68.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 62.13 112.5 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.58 -14.36 61.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.74 0.305 . . . . 71.03 111.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -26.67 68.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 71.23 110.983 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -75.56 -47.31 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 64.54 110.964 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -62.98 -27.37 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 74.25 111.145 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.44 -27.88 26.79 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.867 -0.682 . . . . 72.43 112.551 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -105.32 -26.05 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 75.11 110.884 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 tpp -58.57 -22.42 55.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.946 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.96 -30.57 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.34 111.171 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -116.1 24.8 11.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -95.99 26.45 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 72.4 110.941 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.86 33.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 75.11 110.944 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.77 -34.89 91.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 65.24 112.38 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.875 0.369 . . . . 74.34 110.904 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.54 0.686 . . . . 73.11 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.63 94.9 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.627 2.218 . . . . 74.54 112.449 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -107.95 -26.13 10.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.884 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -23.53 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 75.11 111.201 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -56.36 -25.17 48.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.44 110.88 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.31 -14.27 64.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 62.13 112.536 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.11 24.87 4.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 71.03 111.006 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -86.46 -64.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 71.23 110.903 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -64.88 -26.46 68.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 64.54 110.876 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mm -65.23 -25.25 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.25 111.127 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.34 -28.16 26.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.68 -0.772 . . . . 72.43 112.518 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -100.63 -26.02 13.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.801 0.334 . . . . 75.11 110.919 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.8 mmt -61.87 -22.2 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.911 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -77.22 -30.82 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 72.34 111.126 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.45 24.99 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.87 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.7 m -96.06 26.48 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 72.4 110.824 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -170.51 31.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 75.11 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.41 -28.54 6.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 65.24 112.467 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 74.34 110.891 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 121.655 0.741 . . . . 73.11 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 83.95 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.623 2.216 . . . . 74.54 112.311 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.02 -28.45 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 73.23 110.822 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -25.45 62.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.11 111.163 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -24.62 59.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 72.44 110.955 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.03 -19.84 69.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 62.13 112.471 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.07 -14.47 59.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.311 . . . . 71.03 110.978 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -69.2 -48.01 63.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 71.23 110.905 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -60.17 -65.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 64.54 110.953 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -53.98 -27.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 74.25 111.071 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.46 -27.58 26.1 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.782 -0.723 . . . . 72.43 112.491 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -26.0 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 75.11 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -22.24 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 74.44 110.888 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -80.18 -31.67 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 72.34 111.136 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -101.08 21.9 13.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 75.31 110.869 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.4 p -95.9 26.5 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 72.4 110.863 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -166.25 28.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.502 . . . . 75.11 110.883 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.12 20.19 60.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.711 -0.757 . . . . 65.24 112.579 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.896 0.379 . . . . 74.34 110.963 -179.718 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.554 0.692 . . . . 73.11 110.951 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.61 102.24 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.621 2.214 . . . . 74.54 112.404 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -99.36 -28.91 13.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 73.23 110.934 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -23.7 65.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 75.11 111.113 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -56.33 -25.3 48.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 72.44 110.838 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.58 -13.93 64.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.734 . . . . 62.13 112.515 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.11 24.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 71.03 111.115 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -86.35 -46.17 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 71.23 110.956 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -27.89 65.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.941 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.2 mm -60.47 -25.37 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 74.25 111.13 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.2 -27.78 24.56 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.668 -0.777 . . . . 72.43 112.459 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -100.48 -26.5 13.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 75.11 110.845 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.5 mmm -64.53 -22.27 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.866 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.0 t -82.61 -25.84 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 72.34 111.196 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -96.59 24.63 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 75.31 110.898 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.2 m -95.06 21.69 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 72.4 110.866 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -152.78 24.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 75.11 110.867 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.84 24.48 69.5 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.712 . . . . 65.24 112.509 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 74.34 110.864 -179.755 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.677 0.751 . . . . 73.11 110.932 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 109.23 2.26 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.674 2.25 . . . . 74.54 112.327 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -111.88 -27.79 8.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.904 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -25.07 66.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 75.11 111.111 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -58.61 -24.64 61.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.96 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.23 -19.14 75.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.642 -0.79 . . . . 62.13 112.453 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.15 -14.31 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 71.03 111.062 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.48 -36.99 82.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 71.23 110.981 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -76.76 -43.76 35.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 64.54 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.68 -25.62 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 74.25 111.141 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.35 -27.78 25.79 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.807 -0.711 . . . . 72.43 112.416 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -107.47 -26.17 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 75.11 110.905 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -22.37 64.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.924 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -82.75 -31.32 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 72.34 111.158 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -66.84 -19.05 65.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.494 . . . . 75.31 110.889 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 m -96.06 26.61 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 72.4 110.844 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.96 33.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 75.11 110.845 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.63 -34.01 23.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 65.24 112.519 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 74.34 110.972 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.591 0.71 . . . . 73.11 110.824 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 101.28 0.9 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.733 2.289 . . . . 74.54 112.406 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -107.57 -26.17 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.996 0.427 . . . . 73.23 110.923 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -23.43 65.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 75.11 111.163 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -56.25 -25.18 46.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 72.44 110.943 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.27 -14.27 64.4 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.669 -0.777 . . . . 62.13 112.513 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.81 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 71.03 111.127 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -29.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 71.23 110.811 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -52.3 10.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 64.54 110.917 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -55.92 -25.26 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 74.25 111.144 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.04 -24.56 35.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.778 -0.725 . . . . 72.43 112.5 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -106.02 -25.96 11.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.793 0.33 . . . . 75.11 110.955 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -22.24 62.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.857 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -72.31 -27.81 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 72.34 111.109 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -81.96 -19.01 41.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.831 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -96.09 26.5 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 72.4 110.878 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.08 29.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.984 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.58 19.9 23.38 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.727 -0.749 . . . . 65.24 112.47 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.0 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 74.34 110.874 -179.811 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.627 0.727 . . . . 73.11 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 90.31 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 74.54 112.332 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -105.79 -28.19 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.836 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -26.03 62.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 75.11 111.166 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -56.89 -24.51 52.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.908 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.11 -19.77 68.98 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.662 -0.78 . . . . 62.13 112.515 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.36 -14.39 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 71.03 111.102 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -79.78 -55.39 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 71.23 110.893 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -55.6 -49.4 72.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 64.54 110.901 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.2 mm -58.6 -25.58 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 74.25 111.16 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.51 -28.44 28.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.693 -0.765 . . . . 72.43 112.538 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -106.07 -26.54 11.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 75.11 110.871 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -22.26 66.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.265 -0.425 . . . . 74.44 110.893 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.9 t -76.87 -29.49 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 72.34 111.155 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -113.67 24.88 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.917 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.71 -6.66 58.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 72.4 110.836 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.88 28.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.928 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.54 32.02 81.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 65.24 112.51 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.816 0.341 . . . . 74.34 110.867 -179.799 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.566 0.698 . . . . 73.11 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 84.79 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 74.54 112.269 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -104.01 -26.1 12.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 73.23 110.884 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -23.57 65.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 75.11 111.089 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -56.25 -25.16 46.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.935 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.43 -14.27 64.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 62.13 112.414 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.01 24.8 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.762 0.315 . . . . 71.03 111.05 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -86.58 -44.0 12.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.88 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -72.77 -54.35 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 64.54 110.937 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.26 -25.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 74.25 111.094 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.32 -26.69 30.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.669 -0.776 . . . . 72.43 112.487 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -110.57 -26.26 9.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.7 0.286 . . . . 75.11 110.89 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttp -60.05 -22.36 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 74.44 110.882 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.5 t -75.8 -29.96 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.34 111.172 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -117.49 24.7 10.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.099 -0.501 . . . . 75.31 110.907 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -89.4 -6.64 56.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 72.4 110.909 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -120.15 26.6 9.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 75.11 110.91 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.09 19.81 72.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 65.24 112.564 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 74.34 110.886 -179.779 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.581 0.705 . . . . 73.11 110.89 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.71 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 74.54 112.349 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.9 -26.57 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.877 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -25.5 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 75.11 111.146 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -61.26 -24.46 66.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 72.44 110.877 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.28 -19.82 68.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.718 . . . . 62.13 112.417 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.27 -14.41 62.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 71.03 111.076 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.6 -41.69 99.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.922 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -70.61 -60.73 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 64.54 110.981 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.09 -26.56 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.527 . . . . 74.25 111.146 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.66 -27.46 27.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 72.43 112.511 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.04 -26.31 12.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 75.11 110.875 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.4 mmt -61.61 -22.38 65.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 74.44 110.959 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.6 t -79.86 -27.13 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 72.34 111.117 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -96.28 21.61 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.931 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.68 -6.67 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 72.4 110.794 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -130.4 32.16 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 75.11 110.869 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.67 -49.53 6.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 65.24 112.45 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.5 p90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.884 0.373 . . . . 74.34 111.005 -179.831 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.568 0.699 . . . . 73.11 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 93.79 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.691 2.26 . . . . 74.54 112.26 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -107.57 -29.47 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.808 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -25.93 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.11 111.168 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -24.45 56.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 72.44 110.939 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.65 -20.4 71.36 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.601 -0.809 . . . . 62.13 112.461 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.36 -14.3 60.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 71.03 111.095 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -33.11 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 71.23 110.987 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -78.43 -33.93 48.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 64.54 110.932 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -62.36 -25.2 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 74.25 111.136 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.66 -28.3 29.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.682 -0.771 . . . . 72.43 112.502 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -101.74 -26.07 13.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.342 . . . . 75.11 110.855 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -22.07 66.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 74.44 110.838 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.01 -27.62 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 72.34 111.117 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -104.62 21.5 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 75.31 110.95 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -6.53 57.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.854 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -158.0 36.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 75.11 110.972 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.84 19.85 61.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 65.24 112.446 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 74.34 110.986 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.695 0.759 . . . . 73.11 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 146.86 61.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.725 2.283 . . . . 74.54 112.357 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -179.33 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 73.23 110.933 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.29 -30.56 60.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 75.11 111.241 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -57.49 -24.59 56.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 72.44 110.87 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.36 -19.65 68.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.697 -0.763 . . . . 62.13 112.531 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.13 -14.37 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 71.03 111.15 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -69.53 -38.51 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 71.23 110.923 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.25 -57.71 5.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 64.54 110.934 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 mp -56.24 -25.91 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 74.25 111.188 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.52 -26.48 31.08 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 72.43 112.528 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.71 -26.28 12.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 75.11 110.935 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 84.2 mmm -57.71 -23.42 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.896 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -81.28 -25.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.34 111.143 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.19 25.41 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.95 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -84.69 -6.58 59.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 72.4 110.768 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -171.49 36.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.939 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.53 20.68 66.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.787 -0.72 . . . . 65.24 112.435 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.4 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.857 0.36 . . . . 74.34 110.92 -179.827 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.553 0.692 . . . . 73.11 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 102.94 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.627 2.218 . . . . 74.54 112.367 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.22 -34.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.055 0.455 . . . . 73.23 110.999 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -24.7 66.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.046 -0.524 . . . . 75.11 111.117 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -25.25 43.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.956 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.36 -17.96 72.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 62.13 112.463 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.59 -14.6 60.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.81 0.338 . . . . 71.03 111.073 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.74 -38.55 70.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.264 -0.426 . . . . 71.23 110.934 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -37.86 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 64.54 110.964 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.9 mm -67.76 -27.74 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 74.25 111.098 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.8 24.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.717 . . . . 72.43 112.524 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.32 -25.96 11.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.706 0.289 . . . . 75.11 110.861 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -22.28 66.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 74.44 110.931 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.2 t -87.93 -26.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 72.34 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -90.56 -18.99 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.924 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -79.62 -6.55 57.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 72.4 110.805 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -161.86 51.94 0.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.902 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.34 -39.48 3.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.785 -0.721 . . . . 65.24 112.52 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.831 0.348 . . . . 74.34 110.939 -179.818 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.562 0.696 . . . . 73.11 110.941 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.66 88.51 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.719 2.279 . . . . 74.54 112.361 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -111.12 -29.02 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 73.23 110.908 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -25.57 68.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 75.11 111.125 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -58.68 -24.61 61.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.892 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.25 -20.31 69.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 62.13 112.547 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.48 -14.6 62.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 71.03 111.048 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -37.77 54.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.96 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -47.18 28.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 64.54 110.887 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 mm -62.1 -26.64 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 74.25 111.064 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.84 -27.47 28.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.661 -0.78 . . . . 72.43 112.477 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -104.81 -26.17 12.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 75.11 110.869 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.1 ttp -61.34 -22.26 64.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.935 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.8 t -73.69 -32.3 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 72.34 111.136 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.22 24.94 12.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.8 p -78.49 -6.57 55.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 72.4 110.802 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.29 31.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 75.11 110.892 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.41 31.52 81.03 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.797 -0.716 . . . . 65.24 112.516 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 74.34 110.888 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.592 0.71 . . . . 73.11 110.95 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 107.01 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.616 2.211 . . . . 74.54 112.46 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -107.31 -26.58 10.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.888 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -25.6 66.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 75.11 111.183 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -57.89 -24.54 58.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 72.44 110.928 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.69 -19.9 72.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.686 -0.769 . . . . 62.13 112.471 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.33 -14.32 60.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 71.03 111.17 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -33.42 75.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 71.23 110.846 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.9 -60.82 2.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 64.54 110.95 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.74 -27.71 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 74.25 111.208 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.16 -27.92 24.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 72.43 112.523 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.29 -26.18 12.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.72 0.295 . . . . 75.11 110.888 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.8 mmt -59.9 -22.17 62.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.91 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -71.01 -31.14 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 72.34 111.106 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -115.95 24.66 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.948 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -96.17 26.57 4.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.829 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -165.6 28.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 75.11 110.919 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.29 25.19 69.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.8 -0.714 . . . . 65.24 112.579 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 74.34 110.928 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.655 0.741 . . . . 73.11 110.902 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.81 15.09 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 74.54 112.292 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -179.29 -35.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.821 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.26 -26.84 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 75.11 111.158 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -57.93 -24.55 58.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.836 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.55 -19.99 69.93 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.75 -0.738 . . . . 62.13 112.49 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.09 -14.46 62.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 71.03 111.095 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -70.45 -47.71 59.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 71.23 110.942 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -48.43 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 64.54 110.891 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.6 mm -60.61 -25.49 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 74.25 111.144 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.9 -26.2 32.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 72.43 112.45 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -26.64 12.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 75.11 110.898 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -22.18 64.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.844 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -78.17 -30.87 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.381 . . . . 72.34 111.11 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.22 24.78 10.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.884 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.03 26.43 4.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.85 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -173.79 32.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.866 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.49 55.7 3.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 65.24 112.446 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 74.34 110.921 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.537 0.684 . . . . 73.11 110.926 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -168.1 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 74.54 112.353 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 65.36 22.45 12.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.814 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.99 -27.02 7.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 75.11 111.165 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -28.9 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.9 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.41 -10.67 65.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 62.13 112.467 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.19 -14.88 63.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 71.03 111.083 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.4 -30.47 33.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 71.23 110.935 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.29 -54.43 33.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 64.54 110.955 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -57.98 -26.72 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.25 111.174 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -26.78 29.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.813 -0.708 . . . . 72.43 112.432 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -106.19 -26.27 11.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 75.11 110.887 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -58.87 -22.24 58.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.923 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.4 t -76.45 -31.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.34 111.087 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -95.7 20.5 9.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.997 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.1 26.38 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 72.4 110.907 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -160.79 26.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 75.11 110.947 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.48 34.19 89.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.78 -0.724 . . . . 65.24 112.47 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 74.34 110.864 -179.873 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.3 t80 . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.97 0.414 . . . . 73.23 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -27.16 61.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 75.11 111.109 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -24.63 59.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 65.11 110.969 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.04 -19.83 69.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 62.13 112.444 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.01 -14.42 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.819 0.342 . . . . 53.24 111.144 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -43.84 16.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.896 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -71.25 -58.74 3.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.16 -0.473 . . . . 63.15 110.916 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.6 mm -54.97 -26.35 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 64.14 111.086 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.32 -27.74 25.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.802 -0.713 . . . . 72.43 112.499 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -100.2 -26.38 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 75.11 110.924 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -22.31 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 74.44 110.93 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 10' ' ' ILE . 21.7 t -79.03 -25.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 72.34 111.128 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.56 26.99 8.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 75.31 110.907 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 53.13 110.797 -179.77 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.972 0.415 . . . . 73.23 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -23.49 65.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 75.11 111.155 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -56.33 -25.14 47.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 65.11 110.919 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.45 -14.21 64.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 62.13 112.484 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.9 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 53.24 111.081 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -86.59 -31.1 21.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.23 110.899 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.02 -37.29 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 63.15 110.944 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -69.09 -25.06 28.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 64.14 111.107 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.87 -27.12 43.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 72.43 112.52 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 -23.7 12.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 75.11 110.933 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.4 tpt -60.16 -22.37 62.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.844 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.7 t -77.27 -32.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 72.34 111.142 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -109.18 22.25 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 75.31 110.93 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 53.13 110.865 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.0 t80 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.931 0.396 . . . . 73.23 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -23.64 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.11 111.156 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -25.53 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 65.11 110.86 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.32 -11.91 85.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 62.13 112.482 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.82 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.713 0.292 . . . . 53.24 111.084 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -78.62 -58.59 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 71.23 110.884 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.23 -48.88 79.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 63.15 110.894 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.0 mp -58.2 -25.89 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 64.14 111.102 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.05 -25.79 32.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 72.43 112.489 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.91 -26.23 10.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 75.11 110.953 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ttp -64.3 -22.37 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.932 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 10' ' ' ILE . 73.0 t -73.01 -31.08 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.34 111.112 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.55 24.71 9.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.946 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.407 . . . . 53.13 110.824 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 47.1 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.949 0.404 . . . . 73.23 110.823 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -23.49 65.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 75.11 111.122 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -25.11 48.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.11 110.871 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.46 -14.2 64.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 62.13 112.468 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.09 24.88 4.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 53.24 111.057 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.31 -54.01 4.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 71.23 110.847 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -59.0 -34.39 71.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 63.15 110.992 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 14' ' ' VAL . 39.9 mm -62.54 -25.21 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 64.14 111.169 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.34 -24.33 37.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 72.43 112.489 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 -25.98 11.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 75.11 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 mtm -59.86 -22.2 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.899 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 10' ' ' ILE . 43.2 t -72.22 -26.89 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.144 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -77.23 -18.96 57.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.832 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.989 0.423 . . . . 53.13 110.82 -179.73 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.937 0.398 . . . . 73.23 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -23.5 65.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 75.11 111.111 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.35 -25.16 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 65.11 110.898 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.5 -14.1 64.23 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.687 -0.768 . . . . 62.13 112.431 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.1 24.78 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 53.24 111.124 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -69.23 -53.36 20.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 71.23 110.851 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -57.64 -26.33 61.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 63.15 110.949 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.4 mm -56.07 -27.59 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 64.14 111.07 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.13 -27.91 24.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.724 . . . . 72.43 112.523 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -103.43 -26.05 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 75.11 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.8 ttp -66.9 -22.34 65.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.896 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 10' ' ' ILE . 58.5 t -86.2 -27.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 72.34 111.138 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -74.1 -19.04 60.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.874 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.987 0.422 . . . . 53.13 110.871 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.966 0.412 . . . . 73.23 110.918 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -25.43 61.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 75.11 111.083 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -58.18 -24.54 59.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 65.11 110.946 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.67 -19.72 70.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 62.13 112.463 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.83 -14.38 62.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 53.24 111.177 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -77.27 -30.79 54.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 71.23 111.001 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -78.08 -54.49 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 63.15 110.926 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 14' ' ' VAL . 50.4 mm -57.32 -26.36 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 64.14 111.11 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -26.74 29.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 72.43 112.506 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -105.05 -26.14 12.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 75.11 110.896 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -22.37 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.92 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 10' ' ' ILE . 68.3 t -77.84 -26.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.34 111.077 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -117.39 24.79 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 75.31 110.934 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 53.13 110.875 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.915 0.388 . . . . 73.23 110.902 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.04 -25.28 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 75.11 111.125 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -24.62 60.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 65.11 110.879 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.87 -19.8 69.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 62.13 112.463 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.14 -14.36 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 53.24 111.122 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -35.65 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 71.23 110.969 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -79.63 -26.5 41.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 63.15 110.969 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.04 -25.35 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 64.14 111.135 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.3 -28.53 27.61 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.852 -0.69 . . . . 72.43 112.514 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -103.87 -26.63 12.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.704 0.288 . . . . 75.11 110.916 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -22.2 64.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.882 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -86.84 -29.91 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.43 . . . . 72.34 111.104 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -106.25 24.79 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.928 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 53.13 110.836 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.922 0.391 . . . . 73.23 110.806 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -25.38 59.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 75.11 111.14 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -24.45 63.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 65.11 110.926 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.36 -19.69 68.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 62.13 112.5 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.58 -14.36 61.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.74 0.305 . . . . 53.24 111.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -26.67 68.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 71.23 110.983 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -75.56 -47.31 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 63.15 110.964 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -62.98 -27.37 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 64.14 111.145 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.44 -27.88 26.79 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.867 -0.682 . . . . 72.43 112.551 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -105.32 -26.05 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 75.11 110.884 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 tpp -58.57 -22.42 55.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.946 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.96 -30.57 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.34 111.171 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -116.1 24.8 11.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 53.13 110.941 -179.85 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.873 0.368 . . . . 73.23 110.884 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -23.53 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 75.11 111.201 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -56.36 -25.17 48.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 65.11 110.88 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.31 -14.27 64.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 62.13 112.536 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.11 24.87 4.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 53.24 111.006 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -86.46 -64.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 71.23 110.903 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -64.88 -26.46 68.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 63.15 110.876 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mm -65.23 -25.25 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 64.14 111.127 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.34 -28.16 26.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.68 -0.772 . . . . 72.43 112.518 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -100.63 -26.02 13.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.801 0.334 . . . . 75.11 110.919 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.8 mmt -61.87 -22.2 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.911 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -77.22 -30.82 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 72.34 111.126 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.45 24.99 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.87 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 53.13 110.824 -179.856 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.877 0.37 . . . . 73.23 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -25.45 62.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.11 111.163 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -24.62 59.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 65.11 110.955 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.03 -19.84 69.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 62.13 112.471 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.07 -14.47 59.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.311 . . . . 53.24 110.978 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -69.2 -48.01 63.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 71.23 110.905 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -60.17 -65.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 63.15 110.953 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.3 mm -53.98 -27.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 64.14 111.071 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.46 -27.58 26.1 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.782 -0.723 . . . . 72.43 112.491 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -26.0 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 75.11 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.411 ' CE ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -68.74 -22.24 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 74.44 110.888 179.839 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 10' ' ' ILE . 83.8 t -80.18 -31.67 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 72.34 111.136 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -101.08 21.9 13.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 75.31 110.869 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.4 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 53.13 110.863 -179.859 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.981 0.42 . . . . 73.23 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -23.7 65.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 75.11 111.113 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -56.33 -25.3 48.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 65.11 110.838 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.58 -13.93 64.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.734 . . . . 62.13 112.515 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.11 24.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 53.24 111.115 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -86.35 -46.17 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 71.23 110.956 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -27.89 65.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.13 -0.486 . . . . 63.15 110.941 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.2 mm -60.47 -25.37 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 64.14 111.13 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.2 -27.78 24.56 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.668 -0.777 . . . . 72.43 112.459 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -100.48 -26.5 13.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 75.11 110.845 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.5 mmm -64.53 -22.27 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.866 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 10' ' ' ILE . 47.0 t -82.61 -25.84 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 72.34 111.196 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -96.59 24.63 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 75.31 110.898 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 53.13 110.866 -179.823 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.945 0.403 . . . . 73.23 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -25.07 66.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 75.11 111.111 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -58.61 -24.64 61.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 65.11 110.96 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.23 -19.14 75.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.642 -0.79 . . . . 62.13 112.453 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.15 -14.31 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 53.24 111.062 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.48 -36.99 82.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 71.23 110.981 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -76.76 -43.76 35.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 63.15 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 14' ' ' VAL . 48.2 mm -58.68 -25.62 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 64.14 111.141 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.35 -27.78 25.79 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.807 -0.711 . . . . 72.43 112.416 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -107.47 -26.17 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 75.11 110.905 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -22.37 64.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.924 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 10' ' ' ILE . 44.2 t -82.75 -31.32 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 72.34 111.158 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -66.84 -19.05 65.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.494 . . . . 75.31 110.889 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 53.13 110.844 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.996 0.427 . . . . 73.23 110.923 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -23.43 65.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 75.11 111.163 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -56.25 -25.18 46.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 65.11 110.943 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.27 -14.27 64.4 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.669 -0.777 . . . . 62.13 112.513 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.81 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 53.24 111.127 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -29.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 71.23 110.811 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -52.3 10.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 63.15 110.917 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.454 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.9 mp -55.92 -25.26 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 64.14 111.144 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.04 -24.56 35.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.778 -0.725 . . . . 72.43 112.5 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -106.02 -25.96 11.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.793 0.33 . . . . 75.11 110.955 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -22.24 62.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.857 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 10' ' ' ILE . 47.4 t -72.31 -27.81 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 72.34 111.109 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -81.96 -19.01 41.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.831 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 53.13 110.878 -179.811 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.93 0.395 . . . . 73.23 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -26.03 62.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 75.11 111.166 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -56.89 -24.51 52.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 65.11 110.908 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.11 -19.77 68.98 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.662 -0.78 . . . . 62.13 112.515 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.36 -14.39 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 53.24 111.102 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -79.78 -55.39 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 71.23 110.893 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -55.6 -49.4 72.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 63.15 110.901 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 14' ' ' VAL . 51.2 mm -58.6 -25.58 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 64.14 111.16 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.51 -28.44 28.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.693 -0.765 . . . . 72.43 112.538 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -106.07 -26.54 11.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 75.11 110.871 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -22.26 66.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.265 -0.425 . . . . 74.44 110.893 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 10' ' ' ILE . 66.9 t -76.87 -29.49 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 72.34 111.155 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -113.67 24.88 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.917 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 53.13 110.836 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.3 t80 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.834 0.35 . . . . 73.23 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -23.57 65.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 75.11 111.089 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -56.25 -25.16 46.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 65.11 110.935 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.43 -14.27 64.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 62.13 112.414 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.01 24.8 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.762 0.315 . . . . 53.24 111.05 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -86.58 -44.0 12.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.88 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -72.77 -54.35 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 63.15 110.937 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.2 mp -56.26 -25.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 64.14 111.094 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.32 -26.69 30.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.669 -0.776 . . . . 72.43 112.487 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -110.57 -26.26 9.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.7 0.286 . . . . 75.11 110.89 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttp -60.05 -22.36 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 74.44 110.882 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 10' ' ' ILE . 42.5 t -75.8 -29.96 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.34 111.172 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -117.49 24.7 10.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.099 -0.501 . . . . 75.31 110.907 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 53.13 110.909 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.973 0.416 . . . . 73.23 110.877 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -25.5 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 75.11 111.146 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -61.26 -24.46 66.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 65.11 110.877 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.566 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -80.28 -19.82 68.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.718 . . . . 62.13 112.417 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.27 -14.41 62.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 53.24 111.076 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.6 -41.69 99.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.922 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -70.61 -60.73 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 63.15 110.981 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 6' ' ' GLY . 3.3 mp -55.09 -26.56 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.527 . . . . 64.14 111.146 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.66 -27.46 27.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 72.43 112.511 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.04 -26.31 12.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 75.11 110.875 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.4 mmt -61.61 -22.38 65.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 74.44 110.959 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 10' ' ' ILE . 53.6 t -79.86 -27.13 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 72.34 111.117 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -96.28 21.61 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.931 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 53.13 110.794 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.809 0.338 . . . . 73.23 110.808 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -25.93 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.11 111.168 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -24.45 56.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 65.11 110.939 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.65 -20.4 71.36 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.601 -0.809 . . . . 62.13 112.461 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.36 -14.3 60.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 53.24 111.095 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -33.11 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 71.23 110.987 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -78.43 -33.93 48.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 63.15 110.932 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 14' ' ' VAL . 38.3 mm -62.36 -25.2 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 64.14 111.136 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.66 -28.3 29.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.682 -0.771 . . . . 72.43 112.502 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -101.74 -26.07 13.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.342 . . . . 75.11 110.855 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -22.07 66.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 74.44 110.838 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 10' ' ' ILE . 57.5 t -85.01 -27.62 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 72.34 111.117 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -104.62 21.5 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 75.31 110.95 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 53.13 110.854 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.94 0.4 . . . . 73.23 110.933 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.29 -30.56 60.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 75.11 111.241 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -57.49 -24.59 56.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 65.11 110.87 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.584 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -80.36 -19.65 68.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.697 -0.763 . . . . 62.13 112.531 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.13 -14.37 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 53.24 111.15 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -69.53 -38.51 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 71.23 110.923 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.25 -57.71 5.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 63.15 110.934 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 6' ' ' GLY . 3.5 mp -56.24 -25.91 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 64.14 111.188 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.52 -26.48 31.08 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 72.43 112.528 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.71 -26.28 12.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 75.11 110.935 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 84.2 mmm -57.71 -23.42 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.896 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -81.28 -25.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.34 111.143 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.19 25.41 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.95 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 53.13 110.768 -179.81 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.055 0.455 . . . . 73.23 110.999 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -24.7 66.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.046 -0.524 . . . . 75.11 111.117 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -25.25 43.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 65.11 110.956 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.36 -17.96 72.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 62.13 112.463 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.59 -14.6 60.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.81 0.338 . . . . 53.24 111.073 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.74 -38.55 70.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.264 -0.426 . . . . 71.23 110.934 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -37.86 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 63.15 110.964 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.9 mm -67.76 -27.74 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 64.14 111.098 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.8 24.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.717 . . . . 72.43 112.524 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.32 -25.96 11.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.706 0.289 . . . . 75.11 110.861 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -22.28 66.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 74.44 110.931 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.2 t -87.93 -26.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 72.34 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -90.56 -18.99 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.924 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 53.13 110.805 -179.802 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.984 0.421 . . . . 73.23 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -25.57 68.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 75.11 111.125 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -58.68 -24.61 61.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 65.11 110.892 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.25 -20.31 69.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 62.13 112.547 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.48 -14.6 62.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 53.24 111.048 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -37.77 54.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.96 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -47.18 28.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 63.15 110.887 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.2 mm -62.1 -26.64 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 64.14 111.064 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.84 -27.47 28.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.661 -0.78 . . . . 72.43 112.477 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -104.81 -26.17 12.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 75.11 110.869 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.1 ttp -61.34 -22.26 64.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.935 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 10' ' ' ILE . 66.8 t -73.69 -32.3 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 72.34 111.136 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.22 24.94 12.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 53.13 110.802 -179.821 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 53.4 p90 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.91 0.386 . . . . 73.23 110.888 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -25.6 66.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 75.11 111.183 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -57.89 -24.54 58.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 65.11 110.928 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.69 -19.9 72.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.686 -0.769 . . . . 62.13 112.471 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.33 -14.32 60.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 53.24 111.17 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -33.42 75.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 71.23 110.846 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.9 -60.82 2.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 63.15 110.95 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.0 mp -55.74 -27.71 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 64.14 111.208 179.84 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.16 -27.92 24.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 72.43 112.523 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.29 -26.18 12.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.72 0.295 . . . . 75.11 110.888 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.8 mmt -59.9 -22.17 62.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.91 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 10' ' ' ILE . 59.5 t -71.01 -31.14 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 72.34 111.106 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -115.95 24.66 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.948 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 53.13 110.829 -179.89 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.931 0.396 . . . . 73.23 110.821 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.26 -26.84 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 75.11 111.158 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -57.93 -24.55 58.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 65.11 110.836 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.55 -19.99 69.93 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.75 -0.738 . . . . 62.13 112.49 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.09 -14.46 62.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 53.24 111.095 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -70.45 -47.71 59.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 71.23 110.942 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -48.43 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 63.15 110.891 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.6 mm -60.61 -25.49 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 64.14 111.144 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.9 -26.2 32.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 72.43 112.45 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -26.64 12.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 75.11 110.898 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.473 ' CE ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -68.33 -22.18 64.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.844 179.895 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 10' ' ' ILE . 59.8 t -78.17 -30.87 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.381 . . . . 72.34 111.11 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.22 24.78 10.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.884 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 53.13 110.85 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.945 0.402 . . . . 73.23 110.814 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.99 -27.02 7.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 75.11 111.165 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -28.9 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 65.11 110.9 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.5 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -89.41 -10.67 65.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 62.13 112.467 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.19 -14.88 63.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 53.24 111.083 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.4 -30.47 33.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 71.23 110.935 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.29 -54.43 33.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 63.15 110.955 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 6' ' ' GLY . 3.2 mp -57.98 -26.72 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 64.14 111.174 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -26.78 29.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.813 -0.708 . . . . 72.43 112.432 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -106.19 -26.27 11.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 75.11 110.887 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -58.87 -22.24 58.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.923 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 10' ' ' ILE . 43.4 t -76.45 -31.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.34 111.087 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -95.7 20.5 9.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.997 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 53.13 110.907 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.582 0.705 . . . . 73.11 110.947 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 83.21 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 74.54 112.316 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -101.63 -26.36 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 73.23 110.939 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -27.16 61.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 75.11 111.109 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -24.63 59.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 65.11 110.969 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.04 -19.83 69.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 62.13 112.444 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.01 -14.42 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.819 0.342 . . . . 53.24 111.144 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -43.84 16.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.896 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -71.25 -58.74 3.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.16 -0.473 . . . . 63.15 110.916 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.6 mm -54.97 -26.35 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 64.14 111.086 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.32 -27.74 25.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.802 -0.713 . . . . 72.43 112.499 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -100.2 -26.38 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 75.11 110.924 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -22.31 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 74.44 110.93 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 10' ' ' ILE . 21.7 t -79.03 -25.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 72.34 111.128 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.56 26.99 8.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 75.31 110.907 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 t -93.36 42.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 53.13 110.797 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.89 41.53 6.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 74.14 110.988 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.44 -47.51 2.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 65.24 112.536 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 61.22 110.931 -179.83 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.59 0.709 . . . . 73.11 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 100.3 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.721 2.281 . . . . 74.54 112.4 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -114.11 -26.26 8.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.903 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -23.49 65.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 75.11 111.155 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -56.33 -25.14 47.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 65.11 110.919 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.45 -14.21 64.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 62.13 112.484 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.9 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 53.24 111.081 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -86.59 -31.1 21.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.23 110.899 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.02 -37.29 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 63.15 110.944 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -69.09 -25.06 28.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 64.14 111.107 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.87 -27.12 43.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 72.43 112.52 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 -23.7 12.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 75.11 110.933 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.4 tpt -60.16 -22.37 62.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.844 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.7 t -77.27 -32.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 72.34 111.142 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -109.18 22.25 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 75.31 110.93 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.95 26.52 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 53.13 110.865 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -168.42 29.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.902 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.77 45.16 77.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.659 -0.781 . . . . 65.24 112.465 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 61.22 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.534 0.683 . . . . 73.11 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.75 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 74.54 112.344 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -178.01 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.854 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -23.64 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.11 111.156 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -25.53 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 65.11 110.86 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.32 -11.91 85.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 62.13 112.482 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.82 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.713 0.292 . . . . 53.24 111.084 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -78.62 -58.59 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 71.23 110.884 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.23 -48.88 79.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 63.15 110.894 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.0 mp -58.2 -25.89 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 64.14 111.102 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.05 -25.79 32.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 72.43 112.489 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.91 -26.23 10.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 75.11 110.953 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ttp -64.3 -22.37 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.932 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 10' ' ' ILE . 73.0 t -73.01 -31.08 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.34 111.112 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.55 24.71 9.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.946 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.0 26.5 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.407 . . . . 53.13 110.824 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tptm -169.37 30.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.907 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.04 41.49 27.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 65.24 112.516 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.5 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 61.22 110.893 -179.813 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.611 0.72 . . . . 73.11 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 105.86 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.25 . . . . 74.54 112.31 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -111.02 -26.14 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 73.23 110.823 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -23.49 65.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 75.11 111.122 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -25.11 48.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.11 110.871 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.46 -14.2 64.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 62.13 112.468 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.09 24.88 4.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 53.24 111.057 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.31 -54.01 4.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 71.23 110.847 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -59.0 -34.39 71.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 63.15 110.992 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 14' ' ' VAL . 39.9 mm -62.54 -25.21 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 64.14 111.169 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.34 -24.33 37.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 72.43 112.489 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 -25.98 11.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 75.11 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 mtm -59.86 -22.2 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.899 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 10' ' ' ILE . 43.2 t -72.22 -26.89 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.144 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -77.23 -18.96 57.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.832 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.2 p -96.01 26.09 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.989 0.423 . . . . 53.13 110.82 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -166.55 28.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 74.14 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.46 -20.89 7.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 65.24 112.47 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.4 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 61.22 110.924 -179.785 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.662 0.744 . . . . 73.11 110.943 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 107.13 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.609 2.206 . . . . 74.54 112.326 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -111.56 -26.12 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.859 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -23.5 65.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 75.11 111.111 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.35 -25.16 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 65.11 110.898 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.5 -14.1 64.23 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.687 -0.768 . . . . 62.13 112.431 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.1 24.78 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 53.24 111.124 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -69.23 -53.36 20.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 71.23 110.851 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -57.64 -26.33 61.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 63.15 110.949 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.4 mm -56.07 -27.59 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 64.14 111.07 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.13 -27.91 24.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.724 . . . . 72.43 112.523 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -103.43 -26.05 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 75.11 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.8 ttp -66.9 -22.34 65.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.896 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 10' ' ' ILE . 58.5 t -86.2 -27.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 72.34 111.138 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -74.1 -19.04 60.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.874 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.0 26.37 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.987 0.422 . . . . 53.13 110.871 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -170.73 31.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 74.14 110.919 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.13 -44.91 27.68 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.768 . . . . 65.24 112.534 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.39 . . . . 61.22 110.85 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.6 0.714 . . . . 73.11 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 116.94 4.79 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.257 . . . . 74.54 112.353 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -103.85 -29.03 11.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.918 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -25.43 61.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 75.11 111.083 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -58.18 -24.54 59.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 65.11 110.946 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.67 -19.72 70.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 62.13 112.463 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.83 -14.38 62.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 53.24 111.177 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -77.27 -30.79 54.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 71.23 111.001 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -78.08 -54.49 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 63.15 110.926 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 14' ' ' VAL . 50.4 mm -57.32 -26.36 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 64.14 111.11 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -26.74 29.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 72.43 112.506 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -105.05 -26.14 12.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 75.11 110.896 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -22.37 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.92 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 10' ' ' ILE . 68.3 t -77.84 -26.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.34 111.077 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -117.39 24.79 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 75.31 110.934 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -95.98 26.46 4.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 53.13 110.875 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.6 31.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 74.14 110.884 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.51 -29.83 13.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.746 . . . . 65.24 112.48 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 61.22 110.923 -179.781 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.605 0.717 . . . . 73.11 110.86 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.9 85.52 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.225 . . . . 74.54 112.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -110.49 -26.85 9.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 73.23 110.902 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.04 -25.28 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 75.11 111.125 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -24.62 60.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 65.11 110.879 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.87 -19.8 69.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 62.13 112.463 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.14 -14.36 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 53.24 111.122 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -35.65 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 71.23 110.969 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -79.63 -26.5 41.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 63.15 110.969 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.04 -25.35 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 64.14 111.135 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.3 -28.53 27.61 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.852 -0.69 . . . . 72.43 112.514 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -103.87 -26.63 12.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.704 0.288 . . . . 75.11 110.916 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -22.2 64.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.882 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -86.84 -29.91 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.43 . . . . 72.34 111.104 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -106.25 24.79 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.928 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.98 26.42 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 53.13 110.836 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -173.31 34.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.14 110.894 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.94 -36.63 9.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 65.24 112.535 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 61.22 110.955 -179.853 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.658 0.742 . . . . 73.11 110.943 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 99.2 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.623 2.215 . . . . 74.54 112.436 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.35 -26.27 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.806 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -25.38 59.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 75.11 111.14 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -24.45 63.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 65.11 110.926 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.36 -19.69 68.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 62.13 112.5 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.58 -14.36 61.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.74 0.305 . . . . 53.24 111.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -26.67 68.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 71.23 110.983 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -75.56 -47.31 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 63.15 110.964 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -62.98 -27.37 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 64.14 111.145 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.44 -27.88 26.79 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.867 -0.682 . . . . 72.43 112.551 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -105.32 -26.05 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 75.11 110.884 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 tpp -58.57 -22.42 55.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.946 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.96 -30.57 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.34 111.171 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -116.1 24.8 11.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -95.99 26.45 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 53.13 110.941 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.86 33.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 74.14 110.944 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.77 -34.89 91.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 65.24 112.38 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.875 0.369 . . . . 61.22 110.904 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.54 0.686 . . . . 73.11 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.63 94.9 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.627 2.218 . . . . 74.54 112.449 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -107.95 -26.13 10.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.884 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -23.53 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 75.11 111.201 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -56.36 -25.17 48.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 65.11 110.88 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.31 -14.27 64.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 62.13 112.536 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.11 24.87 4.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 53.24 111.006 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -86.46 -64.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 71.23 110.903 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -64.88 -26.46 68.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 63.15 110.876 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mm -65.23 -25.25 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 64.14 111.127 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.34 -28.16 26.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.68 -0.772 . . . . 72.43 112.518 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -100.63 -26.02 13.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.801 0.334 . . . . 75.11 110.919 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.8 mmt -61.87 -22.2 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.911 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -77.22 -30.82 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 72.34 111.126 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.45 24.99 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.87 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.7 m -96.06 26.48 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 53.13 110.824 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -170.51 31.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 74.14 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.41 -28.54 6.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 65.24 112.467 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 61.22 110.891 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 121.655 0.741 . . . . 73.11 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 83.95 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.623 2.216 . . . . 74.54 112.311 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.02 -28.45 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 73.23 110.822 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -25.45 62.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.11 111.163 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -24.62 59.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 65.11 110.955 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.03 -19.84 69.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 62.13 112.471 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.07 -14.47 59.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.311 . . . . 53.24 110.978 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -69.2 -48.01 63.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 71.23 110.905 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -60.17 -65.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 63.15 110.953 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.3 mm -53.98 -27.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 64.14 111.071 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.46 -27.58 26.1 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.782 -0.723 . . . . 72.43 112.491 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -26.0 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 75.11 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.411 ' CE ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -68.74 -22.24 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 74.44 110.888 179.839 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 10' ' ' ILE . 83.8 t -80.18 -31.67 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 72.34 111.136 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -101.08 21.9 13.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 75.31 110.869 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.4 p -95.9 26.5 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 53.13 110.863 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -166.25 28.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.502 . . . . 74.14 110.883 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.12 20.19 60.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.711 -0.757 . . . . 65.24 112.579 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.896 0.379 . . . . 61.22 110.963 -179.718 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.554 0.692 . . . . 73.11 110.951 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.61 102.24 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.621 2.214 . . . . 74.54 112.404 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -99.36 -28.91 13.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 73.23 110.934 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -23.7 65.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 75.11 111.113 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -56.33 -25.3 48.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 65.11 110.838 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.58 -13.93 64.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.734 . . . . 62.13 112.515 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.11 24.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 53.24 111.115 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -86.35 -46.17 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 71.23 110.956 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -27.89 65.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.13 -0.486 . . . . 63.15 110.941 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.2 mm -60.47 -25.37 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 64.14 111.13 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.2 -27.78 24.56 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.668 -0.777 . . . . 72.43 112.459 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -100.48 -26.5 13.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 75.11 110.845 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.5 mmm -64.53 -22.27 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.866 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 10' ' ' ILE . 47.0 t -82.61 -25.84 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 72.34 111.196 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -96.59 24.63 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 75.31 110.898 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.2 m -95.06 21.69 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 53.13 110.866 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -152.78 24.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 74.14 110.867 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.84 24.48 69.5 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.712 . . . . 65.24 112.509 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 61.22 110.864 -179.755 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.677 0.751 . . . . 73.11 110.932 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 109.23 2.26 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.674 2.25 . . . . 74.54 112.327 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -111.88 -27.79 8.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.904 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -25.07 66.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 75.11 111.111 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -58.61 -24.64 61.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 65.11 110.96 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.23 -19.14 75.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.642 -0.79 . . . . 62.13 112.453 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.15 -14.31 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 53.24 111.062 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.48 -36.99 82.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 71.23 110.981 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -76.76 -43.76 35.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 63.15 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 14' ' ' VAL . 48.2 mm -58.68 -25.62 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 64.14 111.141 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.35 -27.78 25.79 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.807 -0.711 . . . . 72.43 112.416 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -107.47 -26.17 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 75.11 110.905 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -22.37 64.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.924 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 10' ' ' ILE . 44.2 t -82.75 -31.32 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 72.34 111.158 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -66.84 -19.05 65.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.494 . . . . 75.31 110.889 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 m -96.06 26.61 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 53.13 110.844 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.96 33.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 74.14 110.845 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.63 -34.01 23.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 65.24 112.519 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 61.22 110.972 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.591 0.71 . . . . 73.11 110.824 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 101.28 0.9 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.733 2.289 . . . . 74.54 112.406 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -107.57 -26.17 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.996 0.427 . . . . 73.23 110.923 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -23.43 65.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 75.11 111.163 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -56.25 -25.18 46.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 65.11 110.943 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.27 -14.27 64.4 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.669 -0.777 . . . . 62.13 112.513 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.81 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 53.24 111.127 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -29.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 71.23 110.811 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -52.3 10.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 63.15 110.917 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.454 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.9 mp -55.92 -25.26 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 64.14 111.144 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.04 -24.56 35.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.778 -0.725 . . . . 72.43 112.5 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -106.02 -25.96 11.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.793 0.33 . . . . 75.11 110.955 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -22.24 62.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.857 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 10' ' ' ILE . 47.4 t -72.31 -27.81 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 72.34 111.109 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -81.96 -19.01 41.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.831 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -96.09 26.5 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 53.13 110.878 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.08 29.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.984 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.58 19.9 23.38 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.727 -0.749 . . . . 65.24 112.47 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.0 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 61.22 110.874 -179.811 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.627 0.727 . . . . 73.11 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 90.31 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 74.54 112.332 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -105.79 -28.19 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.836 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -26.03 62.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 75.11 111.166 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -56.89 -24.51 52.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 65.11 110.908 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.11 -19.77 68.98 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.662 -0.78 . . . . 62.13 112.515 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.36 -14.39 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 53.24 111.102 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -79.78 -55.39 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 71.23 110.893 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -55.6 -49.4 72.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 63.15 110.901 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 14' ' ' VAL . 51.2 mm -58.6 -25.58 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 64.14 111.16 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.51 -28.44 28.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.693 -0.765 . . . . 72.43 112.538 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -106.07 -26.54 11.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 75.11 110.871 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -22.26 66.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.265 -0.425 . . . . 74.44 110.893 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 10' ' ' ILE . 66.9 t -76.87 -29.49 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 72.34 111.155 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -113.67 24.88 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.917 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.71 -6.66 58.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 53.13 110.836 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.88 28.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.928 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.54 32.02 81.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 65.24 112.51 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.816 0.341 . . . . 61.22 110.867 -179.799 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.566 0.698 . . . . 73.11 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 84.79 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 74.54 112.269 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -104.01 -26.1 12.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 73.23 110.884 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -23.57 65.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 75.11 111.089 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -56.25 -25.16 46.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 65.11 110.935 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.43 -14.27 64.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 62.13 112.414 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.01 24.8 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.762 0.315 . . . . 53.24 111.05 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -86.58 -44.0 12.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.88 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -72.77 -54.35 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 63.15 110.937 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.2 mp -56.26 -25.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 64.14 111.094 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.32 -26.69 30.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.669 -0.776 . . . . 72.43 112.487 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -110.57 -26.26 9.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.7 0.286 . . . . 75.11 110.89 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttp -60.05 -22.36 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 74.44 110.882 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 10' ' ' ILE . 42.5 t -75.8 -29.96 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.34 111.172 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -117.49 24.7 10.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.099 -0.501 . . . . 75.31 110.907 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -89.4 -6.64 56.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 53.13 110.909 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -120.15 26.6 9.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 74.14 110.91 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.09 19.81 72.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 65.24 112.564 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 61.22 110.886 -179.779 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.581 0.705 . . . . 73.11 110.89 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.71 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 74.54 112.349 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.9 -26.57 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.877 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -25.5 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 75.11 111.146 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -61.26 -24.46 66.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 65.11 110.877 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.566 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -80.28 -19.82 68.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.718 . . . . 62.13 112.417 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.27 -14.41 62.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 53.24 111.076 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.6 -41.69 99.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.922 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -70.61 -60.73 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 63.15 110.981 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 6' ' ' GLY . 3.3 mp -55.09 -26.56 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.527 . . . . 64.14 111.146 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.66 -27.46 27.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 72.43 112.511 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.04 -26.31 12.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 75.11 110.875 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.4 mmt -61.61 -22.38 65.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 74.44 110.959 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 10' ' ' ILE . 53.6 t -79.86 -27.13 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 72.34 111.117 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -96.28 21.61 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.931 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.68 -6.67 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 53.13 110.794 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -130.4 32.16 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.869 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.67 -49.53 6.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 65.24 112.45 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.5 p90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.884 0.373 . . . . 61.22 111.005 -179.831 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.568 0.699 . . . . 73.11 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 93.79 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.691 2.26 . . . . 74.54 112.26 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -107.57 -29.47 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.808 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -25.93 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.11 111.168 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -24.45 56.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 65.11 110.939 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.65 -20.4 71.36 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.601 -0.809 . . . . 62.13 112.461 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.36 -14.3 60.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 53.24 111.095 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -33.11 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 71.23 110.987 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -78.43 -33.93 48.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 63.15 110.932 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 14' ' ' VAL . 38.3 mm -62.36 -25.2 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 64.14 111.136 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.66 -28.3 29.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.682 -0.771 . . . . 72.43 112.502 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -101.74 -26.07 13.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.342 . . . . 75.11 110.855 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -22.07 66.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 74.44 110.838 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 10' ' ' ILE . 57.5 t -85.01 -27.62 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 72.34 111.117 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -104.62 21.5 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 75.31 110.95 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -6.53 57.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 53.13 110.854 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -158.0 36.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 74.14 110.972 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.84 19.85 61.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 65.24 112.446 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 61.22 110.986 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.695 0.759 . . . . 73.11 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 146.86 61.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.725 2.283 . . . . 74.54 112.357 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -179.33 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 73.23 110.933 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.29 -30.56 60.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 75.11 111.241 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -57.49 -24.59 56.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 65.11 110.87 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.584 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -80.36 -19.65 68.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.697 -0.763 . . . . 62.13 112.531 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.13 -14.37 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 53.24 111.15 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -69.53 -38.51 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 71.23 110.923 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.25 -57.71 5.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 63.15 110.934 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 6' ' ' GLY . 3.5 mp -56.24 -25.91 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 64.14 111.188 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.52 -26.48 31.08 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 72.43 112.528 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.71 -26.28 12.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 75.11 110.935 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 84.2 mmm -57.71 -23.42 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.896 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -81.28 -25.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.34 111.143 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.19 25.41 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.95 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -84.69 -6.58 59.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 53.13 110.768 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -171.49 36.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.939 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.53 20.68 66.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.787 -0.72 . . . . 65.24 112.435 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.4 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.857 0.36 . . . . 61.22 110.92 -179.827 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.553 0.692 . . . . 73.11 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 102.94 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.627 2.218 . . . . 74.54 112.367 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.22 -34.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.055 0.455 . . . . 73.23 110.999 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -24.7 66.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.046 -0.524 . . . . 75.11 111.117 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -25.25 43.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 65.11 110.956 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.36 -17.96 72.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 62.13 112.463 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.59 -14.6 60.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.81 0.338 . . . . 53.24 111.073 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.74 -38.55 70.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.264 -0.426 . . . . 71.23 110.934 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -37.86 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 63.15 110.964 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.9 mm -67.76 -27.74 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 64.14 111.098 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.8 24.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.717 . . . . 72.43 112.524 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.32 -25.96 11.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.706 0.289 . . . . 75.11 110.861 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -22.28 66.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 74.44 110.931 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.2 t -87.93 -26.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 72.34 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -90.56 -18.99 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.31 110.924 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -79.62 -6.55 57.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 53.13 110.805 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -161.86 51.94 0.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 74.14 110.902 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.34 -39.48 3.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.785 -0.721 . . . . 65.24 112.52 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.831 0.348 . . . . 61.22 110.939 -179.818 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.562 0.696 . . . . 73.11 110.941 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.66 88.51 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.719 2.279 . . . . 74.54 112.361 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -111.12 -29.02 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 73.23 110.908 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -25.57 68.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 75.11 111.125 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -58.68 -24.61 61.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 65.11 110.892 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.25 -20.31 69.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 62.13 112.547 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.48 -14.6 62.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 53.24 111.048 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -37.77 54.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.96 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -47.18 28.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 63.15 110.887 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.2 mm -62.1 -26.64 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 64.14 111.064 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.84 -27.47 28.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.661 -0.78 . . . . 72.43 112.477 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -104.81 -26.17 12.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 75.11 110.869 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.1 ttp -61.34 -22.26 64.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.935 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 10' ' ' ILE . 66.8 t -73.69 -32.3 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 72.34 111.136 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.22 24.94 12.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.8 p -78.49 -6.57 55.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 53.13 110.802 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.29 31.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 74.14 110.892 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.41 31.52 81.03 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.797 -0.716 . . . . 65.24 112.516 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 61.22 110.888 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.592 0.71 . . . . 73.11 110.95 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 107.01 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.616 2.211 . . . . 74.54 112.46 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -107.31 -26.58 10.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.888 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -25.6 66.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 75.11 111.183 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -57.89 -24.54 58.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 65.11 110.928 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.69 -19.9 72.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.686 -0.769 . . . . 62.13 112.471 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.33 -14.32 60.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 53.24 111.17 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -33.42 75.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 71.23 110.846 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.9 -60.82 2.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 63.15 110.95 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.0 mp -55.74 -27.71 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 64.14 111.208 179.84 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.16 -27.92 24.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 72.43 112.523 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.29 -26.18 12.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.72 0.295 . . . . 75.11 110.888 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.8 mmt -59.9 -22.17 62.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.91 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 10' ' ' ILE . 59.5 t -71.01 -31.14 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 72.34 111.106 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -115.95 24.66 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.948 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -96.17 26.57 4.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 53.13 110.829 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -165.6 28.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 74.14 110.919 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.29 25.19 69.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.8 -0.714 . . . . 65.24 112.579 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 61.22 110.928 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.655 0.741 . . . . 73.11 110.902 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.81 15.09 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 74.54 112.292 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -179.29 -35.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.821 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.26 -26.84 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 75.11 111.158 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -57.93 -24.55 58.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 65.11 110.836 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.55 -19.99 69.93 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.75 -0.738 . . . . 62.13 112.49 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.09 -14.46 62.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 53.24 111.095 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -70.45 -47.71 59.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 71.23 110.942 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -48.43 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 63.15 110.891 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.6 mm -60.61 -25.49 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 64.14 111.144 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.9 -26.2 32.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 72.43 112.45 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -26.64 12.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 75.11 110.898 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.473 ' CE ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -68.33 -22.18 64.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.844 179.895 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 10' ' ' ILE . 59.8 t -78.17 -30.87 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.381 . . . . 72.34 111.11 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.22 24.78 10.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.884 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.03 26.43 4.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 53.13 110.85 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -173.79 32.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.14 110.866 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.49 55.7 3.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 65.24 112.446 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 61.22 110.921 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.537 0.684 . . . . 73.11 110.926 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -168.1 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 74.54 112.353 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 65.36 22.45 12.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.814 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.99 -27.02 7.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 75.11 111.165 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -28.9 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 65.11 110.9 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.5 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -89.41 -10.67 65.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 62.13 112.467 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.19 -14.88 63.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 53.24 111.083 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.4 -30.47 33.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 71.23 110.935 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.29 -54.43 33.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 63.15 110.955 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 6' ' ' GLY . 3.2 mp -57.98 -26.72 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 64.14 111.174 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -26.78 29.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.813 -0.708 . . . . 72.43 112.432 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -106.19 -26.27 11.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 75.11 110.887 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -58.87 -22.24 58.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.923 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 10' ' ' ILE . 43.4 t -76.45 -31.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.34 111.087 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -95.7 20.5 9.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.997 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.1 26.38 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 53.13 110.907 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -160.79 26.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 74.14 110.947 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.48 34.19 89.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.78 -0.724 . . . . 65.24 112.47 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 61.22 110.864 -179.873 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.3 t80 . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.97 0.414 . . . . 73.230000000000004 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -27.16 61.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 75.109999999999999 111.109 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -24.63 59.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 65.109999999999999 110.969 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.04 -19.83 69.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 62.130000000000003 112.444 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.01 -14.42 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.819 0.342 . . . . 53.240000000000002 111.144 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -43.84 16.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 71.230000000000004 110.896 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -71.25 -58.74 3.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.16 -0.473 . . . . 63.149999999999999 110.916 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.6 mm -54.97 -26.35 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 64.140000000000001 111.086 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.32 -27.74 25.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.802 -0.713 . . . . 72.430000000000007 112.499 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -100.2 -26.38 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 75.109999999999999 110.924 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -22.31 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 74.439999999999998 110.93 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 10' ' ' ILE . 21.7 t -79.03 -25.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 72.340000000000003 111.128 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.56 26.99 8.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 75.310000000000002 110.907 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 53.130000000000003 110.797 -179.77 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.972 0.415 . . . . 73.230000000000004 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -23.49 65.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 75.109999999999999 111.155 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -56.33 -25.14 47.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 65.109999999999999 110.919 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.45 -14.21 64.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 62.130000000000003 112.484 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.9 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 53.240000000000002 111.081 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -86.59 -31.1 21.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.230000000000004 110.899 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.02 -37.29 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 63.149999999999999 110.944 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -69.09 -25.06 28.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 64.140000000000001 111.107 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.87 -27.12 43.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 72.430000000000007 112.52 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 -23.7 12.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 75.109999999999999 110.933 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.4 tpt -60.16 -22.37 62.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 74.439999999999998 110.844 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.7 t -77.27 -32.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 72.340000000000003 111.142 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -109.18 22.25 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 75.310000000000002 110.93 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 53.130000000000003 110.865 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.0 t80 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.931 0.396 . . . . 73.230000000000004 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -23.64 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.109999999999999 111.156 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -25.53 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 65.109999999999999 110.86 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.32 -11.91 85.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 62.130000000000003 112.482 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.82 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.713 0.292 . . . . 53.240000000000002 111.084 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -78.62 -58.59 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 71.230000000000004 110.884 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.23 -48.88 79.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 63.149999999999999 110.894 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.0 mp -58.2 -25.89 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 64.140000000000001 111.102 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.05 -25.79 32.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 72.430000000000007 112.489 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.91 -26.23 10.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 75.109999999999999 110.953 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ttp -64.3 -22.37 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.932 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 10' ' ' ILE . 73.0 t -73.01 -31.08 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.340000000000003 111.112 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.55 24.71 9.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 75.310000000000002 110.946 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.407 . . . . 53.130000000000003 110.824 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 47.1 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.949 0.404 . . . . 73.230000000000004 110.823 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -23.49 65.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 75.109999999999999 111.122 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -25.11 48.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.109999999999999 110.871 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.46 -14.2 64.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 62.130000000000003 112.468 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.09 24.88 4.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 53.240000000000002 111.057 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.31 -54.01 4.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 71.230000000000004 110.847 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -59.0 -34.39 71.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 63.149999999999999 110.992 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 14' ' ' VAL . 39.9 mm -62.54 -25.21 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 64.140000000000001 111.169 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.34 -24.33 37.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 72.430000000000007 112.489 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 -25.98 11.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 75.109999999999999 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 mtm -59.86 -22.2 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.439999999999998 110.899 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 10' ' ' ILE . 43.2 t -72.22 -26.89 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 72.340000000000003 111.144 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -77.23 -18.96 57.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 75.310000000000002 110.832 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.989 0.423 . . . . 53.130000000000003 110.82 -179.73 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.8 p90 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.937 0.398 . . . . 73.230000000000004 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -23.5 65.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 75.109999999999999 111.111 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.35 -25.16 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 65.109999999999999 110.898 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.5 -14.1 64.23 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.687 -0.768 . . . . 62.130000000000003 112.431 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.1 24.78 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 53.240000000000002 111.124 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -69.23 -53.36 20.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 71.230000000000004 110.851 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -57.64 -26.33 61.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 63.149999999999999 110.949 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.4 mm -56.07 -27.59 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 64.140000000000001 111.07 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.13 -27.91 24.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.724 . . . . 72.430000000000007 112.523 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -103.43 -26.05 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 75.109999999999999 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.8 ttp -66.9 -22.34 65.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.896 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 10' ' ' ILE . 58.5 t -86.2 -27.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 72.340000000000003 111.138 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -74.1 -19.04 60.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 75.310000000000002 110.874 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.987 0.422 . . . . 53.130000000000003 110.871 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.966 0.412 . . . . 73.230000000000004 110.918 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -25.43 61.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 75.109999999999999 111.083 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -58.18 -24.54 59.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 65.109999999999999 110.946 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.67 -19.72 70.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 62.130000000000003 112.463 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.83 -14.38 62.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 53.240000000000002 111.177 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -77.27 -30.79 54.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 71.230000000000004 111.001 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -78.08 -54.49 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 63.149999999999999 110.926 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 14' ' ' VAL . 50.4 mm -57.32 -26.36 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 64.140000000000001 111.11 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -26.74 29.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 72.430000000000007 112.506 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -105.05 -26.14 12.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 75.109999999999999 110.896 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -22.37 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 74.439999999999998 110.92 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 10' ' ' ILE . 68.3 t -77.84 -26.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.340000000000003 111.077 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -117.39 24.79 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 75.310000000000002 110.934 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 53.130000000000003 110.875 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.915 0.388 . . . . 73.230000000000004 110.902 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.04 -25.28 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 75.109999999999999 111.125 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -24.62 60.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 65.109999999999999 110.879 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.87 -19.8 69.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 62.130000000000003 112.463 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.14 -14.36 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 53.240000000000002 111.122 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -35.65 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 71.230000000000004 110.969 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -79.63 -26.5 41.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 63.149999999999999 110.969 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.04 -25.35 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 64.140000000000001 111.135 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.3 -28.53 27.61 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.852 -0.69 . . . . 72.430000000000007 112.514 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -103.87 -26.63 12.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.704 0.288 . . . . 75.109999999999999 110.916 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -22.2 64.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.882 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -86.84 -29.91 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.43 . . . . 72.340000000000003 111.104 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -106.25 24.79 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.310000000000002 110.928 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 53.130000000000003 110.836 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.922 0.391 . . . . 73.230000000000004 110.806 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -25.38 59.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 75.109999999999999 111.14 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -24.45 63.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 65.109999999999999 110.926 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.36 -19.69 68.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 62.130000000000003 112.5 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.58 -14.36 61.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.74 0.305 . . . . 53.240000000000002 111.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -26.67 68.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 71.230000000000004 110.983 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -75.56 -47.31 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 63.149999999999999 110.964 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -62.98 -27.37 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 64.140000000000001 111.145 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.44 -27.88 26.79 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.867 -0.682 . . . . 72.430000000000007 112.551 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -105.32 -26.05 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 75.109999999999999 110.884 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 tpp -58.57 -22.42 55.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 110.946 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.96 -30.57 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.340000000000003 111.171 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -116.1 24.8 11.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.129 -0.487 . . . . 75.310000000000002 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 53.130000000000003 110.941 -179.85 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.873 0.368 . . . . 73.230000000000004 110.884 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -23.53 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 75.109999999999999 111.201 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -56.36 -25.17 48.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 65.109999999999999 110.88 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.31 -14.27 64.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 62.130000000000003 112.536 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.11 24.87 4.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 53.240000000000002 111.006 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -86.46 -64.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 71.230000000000004 110.903 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -64.88 -26.46 68.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 63.149999999999999 110.876 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mm -65.23 -25.25 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 64.140000000000001 111.127 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.34 -28.16 26.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.68 -0.772 . . . . 72.430000000000007 112.518 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -100.63 -26.02 13.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.801 0.334 . . . . 75.109999999999999 110.919 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.8 mmt -61.87 -22.2 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 74.439999999999998 110.911 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -77.22 -30.82 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 72.340000000000003 111.126 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.45 24.99 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.310000000000002 110.87 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 53.130000000000003 110.824 -179.856 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.877 0.37 . . . . 73.230000000000004 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -25.45 62.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.109999999999999 111.163 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -24.62 59.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 65.109999999999999 110.955 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.03 -19.84 69.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 62.130000000000003 112.471 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.07 -14.47 59.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.311 . . . . 53.240000000000002 110.978 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -69.2 -48.01 63.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 71.230000000000004 110.905 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -60.17 -65.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 63.149999999999999 110.953 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.3 mm -53.98 -27.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 64.140000000000001 111.071 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.46 -27.58 26.1 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.782 -0.723 . . . . 72.430000000000007 112.491 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -26.0 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 75.109999999999999 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.411 ' CE ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -68.74 -22.24 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 74.439999999999998 110.888 179.839 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 10' ' ' ILE . 83.8 t -80.18 -31.67 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 72.340000000000003 111.136 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -101.08 21.9 13.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 75.310000000000002 110.869 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.4 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 53.130000000000003 110.863 -179.859 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.981 0.42 . . . . 73.230000000000004 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -23.7 65.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 75.109999999999999 111.113 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -56.33 -25.3 48.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 65.109999999999999 110.838 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.58 -13.93 64.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.734 . . . . 62.130000000000003 112.515 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.11 24.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 53.240000000000002 111.115 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -86.35 -46.17 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 71.230000000000004 110.956 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -27.89 65.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.13 -0.486 . . . . 63.149999999999999 110.941 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.2 mm -60.47 -25.37 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 64.140000000000001 111.13 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.2 -27.78 24.56 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.668 -0.777 . . . . 72.430000000000007 112.459 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -100.48 -26.5 13.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 75.109999999999999 110.845 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.5 mmm -64.53 -22.27 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 74.439999999999998 110.866 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 10' ' ' ILE . 47.0 t -82.61 -25.84 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 72.340000000000003 111.196 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -96.59 24.63 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 75.310000000000002 110.898 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 53.130000000000003 110.866 -179.823 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.945 0.403 . . . . 73.230000000000004 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -25.07 66.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 111.111 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -58.61 -24.64 61.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 65.109999999999999 110.96 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.23 -19.14 75.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.642 -0.79 . . . . 62.130000000000003 112.453 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.15 -14.31 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 53.240000000000002 111.062 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.48 -36.99 82.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 71.230000000000004 110.981 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -76.76 -43.76 35.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 63.149999999999999 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 14' ' ' VAL . 48.2 mm -58.68 -25.62 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 64.140000000000001 111.141 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.35 -27.78 25.79 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.807 -0.711 . . . . 72.430000000000007 112.416 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -107.47 -26.17 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 75.109999999999999 110.905 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -22.37 64.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.924 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 10' ' ' ILE . 44.2 t -82.75 -31.32 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 72.340000000000003 111.158 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -66.84 -19.05 65.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.494 . . . . 75.310000000000002 110.889 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 53.130000000000003 110.844 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.996 0.427 . . . . 73.230000000000004 110.923 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -23.43 65.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 75.109999999999999 111.163 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -56.25 -25.18 46.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 65.109999999999999 110.943 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.27 -14.27 64.4 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.669 -0.777 . . . . 62.130000000000003 112.513 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.81 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 53.240000000000002 111.127 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -29.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 71.230000000000004 110.811 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -52.3 10.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 63.149999999999999 110.917 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.454 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.9 mp -55.92 -25.26 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 64.140000000000001 111.144 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.04 -24.56 35.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.778 -0.725 . . . . 72.430000000000007 112.5 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -106.02 -25.96 11.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.793 0.33 . . . . 75.109999999999999 110.955 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -22.24 62.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.439999999999998 110.857 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 10' ' ' ILE . 47.4 t -72.31 -27.81 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 72.340000000000003 111.109 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -81.96 -19.01 41.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 75.310000000000002 110.831 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 53.130000000000003 110.878 -179.811 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.93 0.395 . . . . 73.230000000000004 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -26.03 62.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 75.109999999999999 111.166 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -56.89 -24.51 52.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 65.109999999999999 110.908 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.11 -19.77 68.98 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.662 -0.78 . . . . 62.130000000000003 112.515 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.36 -14.39 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 53.240000000000002 111.102 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -79.78 -55.39 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 71.230000000000004 110.893 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -55.6 -49.4 72.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 63.149999999999999 110.901 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 14' ' ' VAL . 51.2 mm -58.6 -25.58 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 64.140000000000001 111.16 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.51 -28.44 28.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.693 -0.765 . . . . 72.430000000000007 112.538 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -106.07 -26.54 11.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 75.109999999999999 110.871 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -22.26 66.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.265 -0.425 . . . . 74.439999999999998 110.893 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 10' ' ' ILE . 66.9 t -76.87 -29.49 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 72.340000000000003 111.155 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -113.67 24.88 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.310000000000002 110.917 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 53.130000000000003 110.836 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.3 t80 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.834 0.35 . . . . 73.230000000000004 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -23.57 65.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 75.109999999999999 111.089 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -56.25 -25.16 46.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 65.109999999999999 110.935 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.43 -14.27 64.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 62.130000000000003 112.414 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.01 24.8 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.762 0.315 . . . . 53.240000000000002 111.05 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -86.58 -44.0 12.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 71.230000000000004 110.88 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -72.77 -54.35 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 63.149999999999999 110.937 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.2 mp -56.26 -25.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 64.140000000000001 111.094 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.32 -26.69 30.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.669 -0.776 . . . . 72.430000000000007 112.487 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -110.57 -26.26 9.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.7 0.286 . . . . 75.109999999999999 110.89 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttp -60.05 -22.36 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 74.439999999999998 110.882 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 10' ' ' ILE . 42.5 t -75.8 -29.96 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.340000000000003 111.172 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -117.49 24.7 10.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.099 -0.501 . . . . 75.310000000000002 110.907 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 53.130000000000003 110.909 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.973 0.416 . . . . 73.230000000000004 110.877 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -25.5 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 75.109999999999999 111.146 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -61.26 -24.46 66.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 65.109999999999999 110.877 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.566 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -80.28 -19.82 68.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.718 . . . . 62.130000000000003 112.417 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.27 -14.41 62.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 53.240000000000002 111.076 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.6 -41.69 99.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 71.230000000000004 110.922 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -70.61 -60.73 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 63.149999999999999 110.981 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 6' ' ' GLY . 3.3 mp -55.09 -26.56 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.527 . . . . 64.140000000000001 111.146 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.66 -27.46 27.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 72.430000000000007 112.511 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.04 -26.31 12.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 75.109999999999999 110.875 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.4 mmt -61.61 -22.38 65.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 74.439999999999998 110.959 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 10' ' ' ILE . 53.6 t -79.86 -27.13 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 72.340000000000003 111.117 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -96.28 21.61 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.931 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 53.130000000000003 110.794 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.809 0.338 . . . . 73.230000000000004 110.808 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -25.93 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.109999999999999 111.168 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -24.45 56.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 65.109999999999999 110.939 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.65 -20.4 71.36 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.601 -0.809 . . . . 62.130000000000003 112.461 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.36 -14.3 60.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 53.240000000000002 111.095 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -33.11 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 71.230000000000004 110.987 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -78.43 -33.93 48.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 63.149999999999999 110.932 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 14' ' ' VAL . 38.3 mm -62.36 -25.2 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 64.140000000000001 111.136 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.66 -28.3 29.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.682 -0.771 . . . . 72.430000000000007 112.502 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -101.74 -26.07 13.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.342 . . . . 75.109999999999999 110.855 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -22.07 66.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 74.439999999999998 110.838 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 10' ' ' ILE . 57.5 t -85.01 -27.62 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 72.340000000000003 111.117 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -104.62 21.5 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 75.310000000000002 110.95 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 53.130000000000003 110.854 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.94 0.4 . . . . 73.230000000000004 110.933 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.29 -30.56 60.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 75.109999999999999 111.241 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -57.49 -24.59 56.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 65.109999999999999 110.87 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.584 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -80.36 -19.65 68.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.697 -0.763 . . . . 62.130000000000003 112.531 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.13 -14.37 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 53.240000000000002 111.15 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -69.53 -38.51 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 71.230000000000004 110.923 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.25 -57.71 5.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 63.149999999999999 110.934 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 6' ' ' GLY . 3.5 mp -56.24 -25.91 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 64.140000000000001 111.188 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.52 -26.48 31.08 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 72.430000000000007 112.528 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.71 -26.28 12.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 75.109999999999999 110.935 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 84.2 mmm -57.71 -23.42 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.896 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -81.28 -25.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.340000000000003 111.143 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.19 25.41 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.310000000000002 110.95 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 53.130000000000003 110.768 -179.81 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.055 0.455 . . . . 73.230000000000004 110.999 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -24.7 66.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.046 -0.524 . . . . 75.109999999999999 111.117 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -25.25 43.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 65.109999999999999 110.956 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.36 -17.96 72.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 62.130000000000003 112.463 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.59 -14.6 60.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.81 0.338 . . . . 53.240000000000002 111.073 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.74 -38.55 70.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.264 -0.426 . . . . 71.230000000000004 110.934 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -37.86 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 63.149999999999999 110.964 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.9 mm -67.76 -27.74 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 64.140000000000001 111.098 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.8 24.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.717 . . . . 72.430000000000007 112.524 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.32 -25.96 11.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.706 0.289 . . . . 75.109999999999999 110.861 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -22.28 66.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 74.439999999999998 110.931 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.2 t -87.93 -26.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 72.340000000000003 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -90.56 -18.99 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.310000000000002 110.924 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 53.130000000000003 110.805 -179.802 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.984 0.421 . . . . 73.230000000000004 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -25.57 68.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 75.109999999999999 111.125 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -58.68 -24.61 61.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 65.109999999999999 110.892 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.25 -20.31 69.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 62.130000000000003 112.547 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.48 -14.6 62.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 53.240000000000002 111.048 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -37.77 54.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 71.230000000000004 110.96 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -47.18 28.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 63.149999999999999 110.887 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.2 mm -62.1 -26.64 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 64.140000000000001 111.064 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.84 -27.47 28.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.661 -0.78 . . . . 72.430000000000007 112.477 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -104.81 -26.17 12.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 75.109999999999999 110.869 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.1 ttp -61.34 -22.26 64.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.935 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 10' ' ' ILE . 66.8 t -73.69 -32.3 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 72.340000000000003 111.136 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.22 24.94 12.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 75.310000000000002 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 53.130000000000003 110.802 -179.821 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 53.4 p90 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.91 0.386 . . . . 73.230000000000004 110.888 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -25.6 66.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 75.109999999999999 111.183 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -57.89 -24.54 58.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 65.109999999999999 110.928 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.69 -19.9 72.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.686 -0.769 . . . . 62.130000000000003 112.471 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.33 -14.32 60.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 53.240000000000002 111.17 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -33.42 75.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 71.230000000000004 110.846 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.9 -60.82 2.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 63.149999999999999 110.95 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.0 mp -55.74 -27.71 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 64.140000000000001 111.208 179.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.16 -27.92 24.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 72.430000000000007 112.523 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.29 -26.18 12.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.72 0.295 . . . . 75.109999999999999 110.888 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.8 mmt -59.9 -22.17 62.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.439999999999998 110.91 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 10' ' ' ILE . 59.5 t -71.01 -31.14 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 72.340000000000003 111.106 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -115.95 24.66 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.310000000000002 110.948 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 53.130000000000003 110.829 -179.89 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.931 0.396 . . . . 73.230000000000004 110.821 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.26 -26.84 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 111.158 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -57.93 -24.55 58.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 65.109999999999999 110.836 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.55 -19.99 69.93 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.75 -0.738 . . . . 62.130000000000003 112.49 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.09 -14.46 62.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 53.240000000000002 111.095 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -70.45 -47.71 59.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 71.230000000000004 110.942 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -48.43 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 63.149999999999999 110.891 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.6 mm -60.61 -25.49 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 64.140000000000001 111.144 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.9 -26.2 32.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 72.430000000000007 112.45 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -26.64 12.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 75.109999999999999 110.898 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.473 ' CE ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -68.33 -22.18 64.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 74.439999999999998 110.844 179.895 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 10' ' ' ILE . 59.8 t -78.17 -30.87 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.381 . . . . 72.340000000000003 111.11 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.22 24.78 10.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 75.310000000000002 110.884 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 53.130000000000003 110.85 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.945 0.402 . . . . 73.230000000000004 110.814 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.99 -27.02 7.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 75.109999999999999 111.165 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -28.9 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 65.109999999999999 110.9 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.5 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -89.41 -10.67 65.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 62.130000000000003 112.467 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.19 -14.88 63.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 53.240000000000002 111.083 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.4 -30.47 33.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 71.230000000000004 110.935 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.29 -54.43 33.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 63.149999999999999 110.955 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 6' ' ' GLY . 3.2 mp -57.98 -26.72 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 64.140000000000001 111.174 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -26.78 29.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.813 -0.708 . . . . 72.430000000000007 112.432 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -106.19 -26.27 11.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 75.109999999999999 110.887 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -58.87 -22.24 58.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.439999999999998 110.923 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 10' ' ' ILE . 43.4 t -76.45 -31.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.340000000000003 111.087 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -95.7 20.5 9.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 75.310000000000002 110.997 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 53.130000000000003 110.907 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.582 0.705 . . . . 73.109999999999999 110.947 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 83.21 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 74.540000000000006 112.316 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -101.63 -26.36 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 73.230000000000004 110.939 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -27.16 61.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 75.109999999999999 111.109 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -24.63 59.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 65.109999999999999 110.969 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.04 -19.83 69.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 62.130000000000003 112.444 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.01 -14.42 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.819 0.342 . . . . 53.240000000000002 111.144 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -43.84 16.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 71.230000000000004 110.896 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -71.25 -58.74 3.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.16 -0.473 . . . . 63.149999999999999 110.916 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.6 mm -54.97 -26.35 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 64.140000000000001 111.086 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.32 -27.74 25.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.802 -0.713 . . . . 72.430000000000007 112.499 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -100.2 -26.38 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 75.109999999999999 110.924 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -22.31 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 74.439999999999998 110.93 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 10' ' ' ILE . 21.7 t -79.03 -25.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 72.340000000000003 111.128 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.56 26.99 8.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 75.310000000000002 110.907 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 t -93.36 42.44 1.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 53.130000000000003 110.797 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.89 41.53 6.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 74.140000000000001 110.988 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.44 -47.51 2.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 65.239999999999995 112.536 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 61.219999999999999 110.931 -179.83 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.59 0.709 . . . . 73.109999999999999 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 100.3 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.721 2.281 . . . . 74.540000000000006 112.4 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -114.11 -26.26 8.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.230000000000004 110.903 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -23.49 65.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 75.109999999999999 111.155 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -56.33 -25.14 47.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 65.109999999999999 110.919 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.45 -14.21 64.14 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 62.130000000000003 112.484 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.9 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 53.240000000000002 111.081 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -86.59 -31.1 21.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.230000000000004 110.899 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.02 -37.29 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 63.149999999999999 110.944 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -69.09 -25.06 28.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 64.140000000000001 111.107 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.87 -27.12 43.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 72.430000000000007 112.52 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 -23.7 12.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.737 0.303 . . . . 75.109999999999999 110.933 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.4 tpt -60.16 -22.37 62.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 74.439999999999998 110.844 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.7 t -77.27 -32.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 72.340000000000003 111.142 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -109.18 22.25 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 75.310000000000002 110.93 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.95 26.52 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 53.130000000000003 110.865 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -168.42 29.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 74.140000000000001 110.902 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.77 45.16 77.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.659 -0.781 . . . . 65.239999999999995 112.465 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 61.219999999999999 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.534 0.683 . . . . 73.109999999999999 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.75 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 74.540000000000006 112.344 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -178.01 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.230000000000004 110.854 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -23.64 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.109999999999999 111.156 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -25.53 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 65.109999999999999 110.86 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.32 -11.91 85.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 62.130000000000003 112.482 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.82 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.713 0.292 . . . . 53.240000000000002 111.084 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -78.62 -58.59 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 71.230000000000004 110.884 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -60.23 -48.88 79.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 63.149999999999999 110.894 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.0 mp -58.2 -25.89 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 64.140000000000001 111.102 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.05 -25.79 32.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 72.430000000000007 112.489 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.91 -26.23 10.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 75.109999999999999 110.953 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ttp -64.3 -22.37 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.932 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 10' ' ' ILE . 73.0 t -73.01 -31.08 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.340000000000003 111.112 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -101.55 24.71 9.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 75.310000000000002 110.946 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.0 26.5 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.407 . . . . 53.130000000000003 110.824 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 tptm -169.37 30.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.140000000000001 110.907 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.04 41.49 27.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 65.239999999999995 112.516 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.5 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 61.219999999999999 110.893 -179.813 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.611 0.72 . . . . 73.109999999999999 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 105.86 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.676 2.25 . . . . 74.540000000000006 112.31 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -111.02 -26.14 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 73.230000000000004 110.823 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -23.49 65.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 75.109999999999999 111.122 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -25.11 48.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.109999999999999 110.871 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.46 -14.2 64.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 62.130000000000003 112.468 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.09 24.88 4.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 53.240000000000002 111.057 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.31 -54.01 4.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 71.230000000000004 110.847 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -59.0 -34.39 71.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 63.149999999999999 110.992 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 14' ' ' VAL . 39.9 mm -62.54 -25.21 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 64.140000000000001 111.169 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.34 -24.33 37.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.677 -0.773 . . . . 72.430000000000007 112.489 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 -25.98 11.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 75.109999999999999 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 mtm -59.86 -22.2 61.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.439999999999998 110.899 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 10' ' ' ILE . 43.2 t -72.22 -26.89 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 72.340000000000003 111.144 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -77.23 -18.96 57.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 75.310000000000002 110.832 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.2 p -96.01 26.09 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.989 0.423 . . . . 53.130000000000003 110.82 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -166.55 28.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 74.140000000000001 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.46 -20.89 7.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 65.239999999999995 112.47 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.4 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 61.219999999999999 110.924 -179.785 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.662 0.744 . . . . 73.109999999999999 110.943 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 107.13 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.609 2.206 . . . . 74.540000000000006 112.326 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -111.56 -26.12 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 73.230000000000004 110.859 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -23.5 65.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 75.109999999999999 111.111 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.35 -25.16 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 65.109999999999999 110.898 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.5 -14.1 64.23 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.687 -0.768 . . . . 62.130000000000003 112.431 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.1 24.78 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 53.240000000000002 111.124 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -69.23 -53.36 20.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 71.230000000000004 110.851 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -57.64 -26.33 61.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 63.149999999999999 110.949 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.4 mm -56.07 -27.59 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 64.140000000000001 111.07 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.13 -27.91 24.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.724 . . . . 72.430000000000007 112.523 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -103.43 -26.05 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 75.109999999999999 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.8 ttp -66.9 -22.34 65.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.896 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 10' ' ' ILE . 58.5 t -86.2 -27.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 72.340000000000003 111.138 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -74.1 -19.04 60.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 75.310000000000002 110.874 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.0 26.37 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.987 0.422 . . . . 53.130000000000003 110.871 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -170.73 31.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 74.140000000000001 110.919 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.13 -44.91 27.68 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.768 . . . . 65.239999999999995 112.534 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.39 . . . . 61.219999999999999 110.85 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.6 0.714 . . . . 73.109999999999999 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 116.94 4.79 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.686 2.257 . . . . 74.540000000000006 112.353 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -103.85 -29.03 11.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.918 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -25.43 61.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 75.109999999999999 111.083 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -58.18 -24.54 59.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 65.109999999999999 110.946 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.67 -19.72 70.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 62.130000000000003 112.463 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.83 -14.38 62.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 53.240000000000002 111.177 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -77.27 -30.79 54.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 71.230000000000004 111.001 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -78.08 -54.49 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 63.149999999999999 110.926 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 14' ' ' VAL . 50.4 mm -57.32 -26.36 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 64.140000000000001 111.11 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -26.74 29.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 72.430000000000007 112.506 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -105.05 -26.14 12.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 75.109999999999999 110.896 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -22.37 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 74.439999999999998 110.92 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 10' ' ' ILE . 68.3 t -77.84 -26.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.340000000000003 111.077 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -117.39 24.79 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 75.310000000000002 110.934 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -95.98 26.46 4.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 53.130000000000003 110.875 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.6 31.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 74.140000000000001 110.884 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.51 -29.83 13.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.746 . . . . 65.239999999999995 112.48 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 61.219999999999999 110.923 -179.781 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.605 0.717 . . . . 73.109999999999999 110.86 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.9 85.52 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.225 . . . . 74.540000000000006 112.326 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -110.49 -26.85 9.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 73.230000000000004 110.902 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.04 -25.28 68.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 75.109999999999999 111.125 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -24.62 60.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 65.109999999999999 110.879 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.87 -19.8 69.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 62.130000000000003 112.463 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.14 -14.36 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 53.240000000000002 111.122 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -35.65 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 71.230000000000004 110.969 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -79.63 -26.5 41.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 63.149999999999999 110.969 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.04 -25.35 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 64.140000000000001 111.135 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.3 -28.53 27.61 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.852 -0.69 . . . . 72.430000000000007 112.514 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -103.87 -26.63 12.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.704 0.288 . . . . 75.109999999999999 110.916 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -22.2 64.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.882 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -86.84 -29.91 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.255 -0.43 . . . . 72.340000000000003 111.104 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -106.25 24.79 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.310000000000002 110.928 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.98 26.42 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 53.130000000000003 110.836 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -173.31 34.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.140000000000001 110.894 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.94 -36.63 9.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 65.239999999999995 112.535 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 61.219999999999999 110.955 -179.853 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.658 0.742 . . . . 73.109999999999999 110.943 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 99.2 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.623 2.215 . . . . 74.540000000000006 112.436 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.35 -26.27 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 73.230000000000004 110.806 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -25.38 59.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 75.109999999999999 111.14 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -24.45 63.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 65.109999999999999 110.926 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.36 -19.69 68.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 62.130000000000003 112.5 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.58 -14.36 61.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.74 0.305 . . . . 53.240000000000002 111.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -26.67 68.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 71.230000000000004 110.983 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -75.56 -47.31 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 63.149999999999999 110.964 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -62.98 -27.37 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 64.140000000000001 111.145 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.44 -27.88 26.79 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.867 -0.682 . . . . 72.430000000000007 112.551 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -105.32 -26.05 12.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 75.109999999999999 110.884 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 tpp -58.57 -22.42 55.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 110.946 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.96 -30.57 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.340000000000003 111.171 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -116.1 24.8 11.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.129 -0.487 . . . . 75.310000000000002 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -95.99 26.45 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 53.130000000000003 110.941 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.86 33.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 74.140000000000001 110.944 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.77 -34.89 91.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 65.239999999999995 112.38 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.875 0.369 . . . . 61.219999999999999 110.904 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.54 0.686 . . . . 73.109999999999999 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.63 94.9 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.627 2.218 . . . . 74.540000000000006 112.449 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -107.95 -26.13 10.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 73.230000000000004 110.884 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -23.53 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 75.109999999999999 111.201 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -56.36 -25.17 48.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 65.109999999999999 110.88 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.31 -14.27 64.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 62.130000000000003 112.536 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.11 24.87 4.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 53.240000000000002 111.006 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -86.46 -64.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 71.230000000000004 110.903 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -64.88 -26.46 68.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 63.149999999999999 110.876 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mm -65.23 -25.25 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 64.140000000000001 111.127 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.34 -28.16 26.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.68 -0.772 . . . . 72.430000000000007 112.518 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -100.63 -26.02 13.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.801 0.334 . . . . 75.109999999999999 110.919 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.8 mmt -61.87 -22.2 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 74.439999999999998 110.911 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -77.22 -30.82 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 72.340000000000003 111.126 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.45 24.99 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.310000000000002 110.87 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.7 m -96.06 26.48 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 53.130000000000003 110.824 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -170.51 31.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 74.140000000000001 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.41 -28.54 6.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 65.239999999999995 112.467 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 61.219999999999999 110.891 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 121.655 0.741 . . . . 73.109999999999999 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 83.95 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.623 2.216 . . . . 74.540000000000006 112.311 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.02 -28.45 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 110.822 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -25.45 62.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.109999999999999 111.163 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -24.62 59.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 65.109999999999999 110.955 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.03 -19.84 69.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 62.130000000000003 112.471 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.07 -14.47 59.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.311 . . . . 53.240000000000002 110.978 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -69.2 -48.01 63.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 71.230000000000004 110.905 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -60.17 -65.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 63.149999999999999 110.953 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.3 mm -53.98 -27.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 64.140000000000001 111.071 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.46 -27.58 26.1 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.782 -0.723 . . . . 72.430000000000007 112.491 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -26.0 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.751 0.31 . . . . 75.109999999999999 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.411 ' CE ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -68.74 -22.24 64.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 74.439999999999998 110.888 179.839 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 10' ' ' ILE . 83.8 t -80.18 -31.67 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 72.340000000000003 111.136 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -101.08 21.9 13.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 75.310000000000002 110.869 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.4 p -95.9 26.5 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 53.130000000000003 110.863 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -166.25 28.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.502 . . . . 74.140000000000001 110.883 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.12 20.19 60.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.711 -0.757 . . . . 65.239999999999995 112.579 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.896 0.379 . . . . 61.219999999999999 110.963 -179.718 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.554 0.692 . . . . 73.109999999999999 110.951 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.61 102.24 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.621 2.214 . . . . 74.540000000000006 112.404 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -99.36 -28.91 13.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 73.230000000000004 110.934 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -23.7 65.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 75.109999999999999 111.113 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -56.33 -25.3 48.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 65.109999999999999 110.838 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.58 -13.93 64.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.734 . . . . 62.130000000000003 112.515 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.11 24.95 4.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 53.240000000000002 111.115 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -86.35 -46.17 10.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 71.230000000000004 110.956 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.13 -27.89 65.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.13 -0.486 . . . . 63.149999999999999 110.941 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.2 mm -60.47 -25.37 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 64.140000000000001 111.13 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.2 -27.78 24.56 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.668 -0.777 . . . . 72.430000000000007 112.459 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -100.48 -26.5 13.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 75.109999999999999 110.845 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.5 mmm -64.53 -22.27 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 74.439999999999998 110.866 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 10' ' ' ILE . 47.0 t -82.61 -25.84 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 72.340000000000003 111.196 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -96.59 24.63 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 75.310000000000002 110.898 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.2 m -95.06 21.69 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 53.130000000000003 110.866 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -152.78 24.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 74.140000000000001 110.867 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.84 24.48 69.5 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.806 -0.712 . . . . 65.239999999999995 112.509 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 61.219999999999999 110.864 -179.755 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.677 0.751 . . . . 73.109999999999999 110.932 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 109.23 2.26 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.674 2.25 . . . . 74.540000000000006 112.327 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -111.88 -27.79 8.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.904 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -25.07 66.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 111.111 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -58.61 -24.64 61.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 65.109999999999999 110.96 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.23 -19.14 75.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.642 -0.79 . . . . 62.130000000000003 112.453 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.15 -14.31 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 53.240000000000002 111.062 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.48 -36.99 82.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 71.230000000000004 110.981 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -76.76 -43.76 35.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 63.149999999999999 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 14' ' ' VAL . 48.2 mm -58.68 -25.62 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 64.140000000000001 111.141 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.35 -27.78 25.79 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.807 -0.711 . . . . 72.430000000000007 112.416 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -107.47 -26.17 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 75.109999999999999 110.905 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -22.37 64.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.924 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 10' ' ' ILE . 44.2 t -82.75 -31.32 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 72.340000000000003 111.158 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -66.84 -19.05 65.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.494 . . . . 75.310000000000002 110.889 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 m -96.06 26.61 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 53.130000000000003 110.844 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.96 33.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 74.140000000000001 110.845 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.63 -34.01 23.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.728 -0.749 . . . . 65.239999999999995 112.519 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 61.219999999999999 110.972 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.591 0.71 . . . . 73.109999999999999 110.824 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 101.28 0.9 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.733 2.289 . . . . 74.540000000000006 112.406 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -107.57 -26.17 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.996 0.427 . . . . 73.230000000000004 110.923 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -23.43 65.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 75.109999999999999 111.163 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -56.25 -25.18 46.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 65.109999999999999 110.943 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.27 -14.27 64.4 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.669 -0.777 . . . . 62.130000000000003 112.513 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.05 24.81 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 53.240000000000002 111.127 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -29.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 71.230000000000004 110.811 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -52.3 10.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 63.149999999999999 110.917 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.454 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.9 mp -55.92 -25.26 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 64.140000000000001 111.144 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.04 -24.56 35.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.778 -0.725 . . . . 72.430000000000007 112.5 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -106.02 -25.96 11.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.793 0.33 . . . . 75.109999999999999 110.955 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -22.24 62.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.439999999999998 110.857 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 10' ' ' ILE . 47.4 t -72.31 -27.81 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 72.340000000000003 111.109 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -81.96 -19.01 41.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 75.310000000000002 110.831 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 t -96.09 26.5 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 53.130000000000003 110.878 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.08 29.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 74.140000000000001 110.984 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.58 19.9 23.38 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.727 -0.749 . . . . 65.239999999999995 112.47 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.0 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 61.219999999999999 110.874 -179.811 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.627 0.727 . . . . 73.109999999999999 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 90.31 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 74.540000000000006 112.332 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -105.79 -28.19 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.230000000000004 110.836 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -26.03 62.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 75.109999999999999 111.166 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -56.89 -24.51 52.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 65.109999999999999 110.908 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.11 -19.77 68.98 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.662 -0.78 . . . . 62.130000000000003 112.515 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.36 -14.39 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 53.240000000000002 111.102 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -79.78 -55.39 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 71.230000000000004 110.893 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -55.6 -49.4 72.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 63.149999999999999 110.901 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 14' ' ' VAL . 51.2 mm -58.6 -25.58 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 64.140000000000001 111.16 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.51 -28.44 28.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.693 -0.765 . . . . 72.430000000000007 112.538 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -106.07 -26.54 11.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 75.109999999999999 110.871 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -22.26 66.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.265 -0.425 . . . . 74.439999999999998 110.893 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 10' ' ' ILE . 66.9 t -76.87 -29.49 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 72.340000000000003 111.155 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -113.67 24.88 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.310000000000002 110.917 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.71 -6.66 58.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 53.130000000000003 110.836 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.88 28.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 74.140000000000001 110.928 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.54 32.02 81.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 65.239999999999995 112.51 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.816 0.341 . . . . 61.219999999999999 110.867 -179.799 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.566 0.698 . . . . 73.109999999999999 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 84.79 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.268 . . . . 74.540000000000006 112.269 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -104.01 -26.1 12.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 73.230000000000004 110.884 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -23.57 65.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 75.109999999999999 111.089 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -56.25 -25.16 46.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 65.109999999999999 110.935 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.43 -14.27 64.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 62.130000000000003 112.414 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.01 24.8 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.762 0.315 . . . . 53.240000000000002 111.05 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -86.58 -44.0 12.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 71.230000000000004 110.88 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -72.77 -54.35 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 63.149999999999999 110.937 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.2 mp -56.26 -25.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 64.140000000000001 111.094 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.32 -26.69 30.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.669 -0.776 . . . . 72.430000000000007 112.487 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -110.57 -26.26 9.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.7 0.286 . . . . 75.109999999999999 110.89 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttp -60.05 -22.36 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 74.439999999999998 110.882 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 10' ' ' ILE . 42.5 t -75.8 -29.96 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.340000000000003 111.172 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -117.49 24.7 10.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.099 -0.501 . . . . 75.310000000000002 110.907 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -89.4 -6.64 56.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 53.130000000000003 110.909 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -120.15 26.6 9.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 74.140000000000001 110.91 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.09 19.81 72.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 65.239999999999995 112.564 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 61.219999999999999 110.886 -179.779 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.581 0.705 . . . . 73.109999999999999 110.89 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.71 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 74.540000000000006 112.349 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.9 -26.57 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.230000000000004 110.877 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -25.5 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 75.109999999999999 111.146 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -61.26 -24.46 66.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 65.109999999999999 110.877 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.566 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -80.28 -19.82 68.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.718 . . . . 62.130000000000003 112.417 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.27 -14.41 62.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 53.240000000000002 111.076 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.6 -41.69 99.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 71.230000000000004 110.922 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -70.61 -60.73 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 63.149999999999999 110.981 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 6' ' ' GLY . 3.3 mp -55.09 -26.56 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.527 . . . . 64.140000000000001 111.146 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.66 -27.46 27.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 72.430000000000007 112.511 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.04 -26.31 12.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 75.109999999999999 110.875 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.4 mmt -61.61 -22.38 65.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 74.439999999999998 110.959 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 10' ' ' ILE . 53.6 t -79.86 -27.13 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 72.340000000000003 111.117 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -96.28 21.61 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.931 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.68 -6.67 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 53.130000000000003 110.794 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -130.4 32.16 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 74.140000000000001 110.869 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.67 -49.53 6.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 65.239999999999995 112.45 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.5 p90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.884 0.373 . . . . 61.219999999999999 111.005 -179.831 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.568 0.699 . . . . 73.109999999999999 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 93.79 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.691 2.26 . . . . 74.540000000000006 112.26 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -107.57 -29.47 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.230000000000004 110.808 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -25.93 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.109999999999999 111.168 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -24.45 56.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 65.109999999999999 110.939 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.65 -20.4 71.36 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.601 -0.809 . . . . 62.130000000000003 112.461 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.36 -14.3 60.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 53.240000000000002 111.095 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -33.11 74.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 71.230000000000004 110.987 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -78.43 -33.93 48.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 63.149999999999999 110.932 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 14' ' ' VAL . 38.3 mm -62.36 -25.2 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 64.140000000000001 111.136 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.66 -28.3 29.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.682 -0.771 . . . . 72.430000000000007 112.502 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -101.74 -26.07 13.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.342 . . . . 75.109999999999999 110.855 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -22.07 66.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 74.439999999999998 110.838 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 10' ' ' ILE . 57.5 t -85.01 -27.62 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 72.340000000000003 111.117 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -104.62 21.5 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 75.310000000000002 110.95 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -6.53 57.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 53.130000000000003 110.854 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -158.0 36.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 74.140000000000001 110.972 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.84 19.85 61.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 65.239999999999995 112.446 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 61.219999999999999 110.986 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.695 0.759 . . . . 73.109999999999999 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 146.86 61.25 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.725 2.283 . . . . 74.540000000000006 112.357 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -179.33 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.933 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.29 -30.56 60.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 75.109999999999999 111.241 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -57.49 -24.59 56.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 65.109999999999999 110.87 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.584 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -80.36 -19.65 68.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.697 -0.763 . . . . 62.130000000000003 112.531 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.13 -14.37 62.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 53.240000000000002 111.15 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -69.53 -38.51 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 71.230000000000004 110.923 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.25 -57.71 5.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 63.149999999999999 110.934 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 6' ' ' GLY . 3.5 mp -56.24 -25.91 20.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 64.140000000000001 111.188 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.52 -26.48 31.08 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 72.430000000000007 112.528 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.71 -26.28 12.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 75.109999999999999 110.935 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 84.2 mmm -57.71 -23.42 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.896 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -81.28 -25.5 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.340000000000003 111.143 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.19 25.41 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.310000000000002 110.95 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -84.69 -6.58 59.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 53.130000000000003 110.768 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -171.49 36.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 110.939 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.53 20.68 66.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.787 -0.72 . . . . 65.239999999999995 112.435 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.4 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.857 0.36 . . . . 61.219999999999999 110.92 -179.827 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.553 0.692 . . . . 73.109999999999999 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 102.94 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.627 2.218 . . . . 74.540000000000006 112.367 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.22 -34.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.055 0.455 . . . . 73.230000000000004 110.999 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -24.7 66.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.046 -0.524 . . . . 75.109999999999999 111.117 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -25.25 43.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 65.109999999999999 110.956 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.36 -17.96 72.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 62.130000000000003 112.463 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.59 -14.6 60.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.81 0.338 . . . . 53.240000000000002 111.073 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.74 -38.55 70.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.264 -0.426 . . . . 71.230000000000004 110.934 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -37.86 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 63.149999999999999 110.964 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.9 mm -67.76 -27.74 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 64.140000000000001 111.098 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.18 -27.8 24.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.717 . . . . 72.430000000000007 112.524 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.32 -25.96 11.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.706 0.289 . . . . 75.109999999999999 110.861 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -22.28 66.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 74.439999999999998 110.931 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.2 t -87.93 -26.04 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 72.340000000000003 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -90.56 -18.99 24.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.310000000000002 110.924 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -79.62 -6.55 57.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 53.130000000000003 110.805 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -161.86 51.94 0.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 110.902 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.34 -39.48 3.96 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.785 -0.721 . . . . 65.239999999999995 112.52 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.831 0.348 . . . . 61.219999999999999 110.939 -179.818 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.562 0.696 . . . . 73.109999999999999 110.941 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.66 88.51 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.719 2.279 . . . . 74.540000000000006 112.361 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -111.12 -29.02 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 73.230000000000004 110.908 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.47 -25.57 68.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 75.109999999999999 111.125 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -58.68 -24.61 61.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 65.109999999999999 110.892 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.25 -20.31 69.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 62.130000000000003 112.547 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.48 -14.6 62.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 53.240000000000002 111.048 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -37.77 54.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 71.230000000000004 110.96 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -47.18 28.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 63.149999999999999 110.887 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.2 mm -62.1 -26.64 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 64.140000000000001 111.064 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.84 -27.47 28.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.661 -0.78 . . . . 72.430000000000007 112.477 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -104.81 -26.17 12.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 75.109999999999999 110.869 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.1 ttp -61.34 -22.26 64.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.935 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 10' ' ' ILE . 66.8 t -73.69 -32.3 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 72.340000000000003 111.136 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.22 24.94 12.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 75.310000000000002 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.8 p -78.49 -6.57 55.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 53.130000000000003 110.802 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.29 31.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 74.140000000000001 110.892 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.41 31.52 81.03 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.797 -0.716 . . . . 65.239999999999995 112.516 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 61.219999999999999 110.888 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.592 0.71 . . . . 73.109999999999999 110.95 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 107.01 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.616 2.211 . . . . 74.540000000000006 112.46 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -107.31 -26.58 10.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 73.230000000000004 110.888 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -25.6 66.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 75.109999999999999 111.183 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -57.89 -24.54 58.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 65.109999999999999 110.928 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.69 -19.9 72.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.686 -0.769 . . . . 62.130000000000003 112.471 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.33 -14.32 60.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 53.240000000000002 111.17 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -33.42 75.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 71.230000000000004 110.846 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.9 -60.82 2.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 63.149999999999999 110.95 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.0 mp -55.74 -27.71 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 64.140000000000001 111.208 179.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.16 -27.92 24.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 72.430000000000007 112.523 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.29 -26.18 12.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.72 0.295 . . . . 75.109999999999999 110.888 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.8 mmt -59.9 -22.17 62.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.439999999999998 110.91 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 10' ' ' ILE . 59.5 t -71.01 -31.14 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 72.340000000000003 111.106 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -115.95 24.66 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.310000000000002 110.948 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -96.17 26.57 4.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 53.130000000000003 110.829 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -165.6 28.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 74.140000000000001 110.919 179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.29 25.19 69.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.8 -0.714 . . . . 65.239999999999995 112.579 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 61.219999999999999 110.928 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.655 0.741 . . . . 73.109999999999999 110.902 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.81 15.09 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 74.540000000000006 112.292 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -179.29 -35.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.230000000000004 110.821 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.26 -26.84 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 111.158 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -57.93 -24.55 58.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 65.109999999999999 110.836 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.55 -19.99 69.93 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.75 -0.738 . . . . 62.130000000000003 112.49 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.09 -14.46 62.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 53.240000000000002 111.095 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -70.45 -47.71 59.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 71.230000000000004 110.942 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -48.43 72.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 63.149999999999999 110.891 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.6 mm -60.61 -25.49 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 64.140000000000001 111.144 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.9 -26.2 32.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 72.430000000000007 112.45 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -26.64 12.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 75.109999999999999 110.898 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.473 ' CE ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -68.33 -22.18 64.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 74.439999999999998 110.844 179.895 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 10' ' ' ILE . 59.8 t -78.17 -30.87 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.381 . . . . 72.340000000000003 111.11 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -103.22 24.78 10.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 75.310000000000002 110.884 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.03 26.43 4.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 53.130000000000003 110.85 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -173.79 32.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.140000000000001 110.866 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.49 55.7 3.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 65.239999999999995 112.446 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 61.219999999999999 110.921 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.537 0.684 . . . . 73.109999999999999 110.926 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -168.1 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 74.540000000000006 112.353 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 65.36 22.45 12.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 73.230000000000004 110.814 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.99 -27.02 7.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 75.109999999999999 111.165 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -28.9 69.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 65.109999999999999 110.9 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.5 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -89.41 -10.67 65.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 62.130000000000003 112.467 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.19 -14.88 63.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 53.240000000000002 111.083 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.4 -30.47 33.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 71.230000000000004 110.935 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -64.29 -54.43 33.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 63.149999999999999 110.955 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 6' ' ' GLY . 3.2 mp -57.98 -26.72 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 64.140000000000001 111.174 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -26.78 29.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.813 -0.708 . . . . 72.430000000000007 112.432 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -106.19 -26.27 11.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 75.109999999999999 110.887 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -58.87 -22.24 58.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.439999999999998 110.923 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 10' ' ' ILE . 43.4 t -76.45 -31.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.340000000000003 111.087 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -95.7 20.5 9.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 75.310000000000002 110.997 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.1 26.38 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 53.130000000000003 110.907 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -160.79 26.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 74.140000000000001 110.947 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.48 34.19 89.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.78 -0.724 . . . . 65.239999999999995 112.47 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 61.219999999999999 110.864 -179.873 . . . . . . . . 0 0 . 1 stop_ save_