data_2kwf_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 2kwf _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 ' 4' ' ' LYS . . . . . 0.452 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 0.2 OUTLIER . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.317 0.103 . . . . 0.0 111.067 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.79 64.1 1.9 Allowed Glycine 0 C--N 1.334 0.457 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 175.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.521 ' CZ3' ' CZ ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.59 -64.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -174.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.413 ' HA ' HG22 ' A' ' 10' ' ' VAL . 7.7 t-80 -62.13 -13.01 22.74 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.097 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 1.1 pp20? -44.02 -53.2 6.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -130.09 26.94 5.16 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -96.02 -42.46 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 10' ' ' VAL . 10.4 m 51.71 166.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.834 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -74.55 -52.52 11.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -53.7 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.305 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.05 -29.79 32.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.229 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -71.64 -35.11 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.788 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 m -62.27 -31.43 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -64.77 -35.49 81.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD21 ' CE2' ' A' ' 64' ' ' TYR . 10.6 mp -73.38 -34.25 65.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.6 t -59.79 -38.88 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.057 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -61.08 -36.24 79.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -59.84 -33.01 71.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.74 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -36.89 74.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.709 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.2 t -77.36 -30.96 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -65.87 -30.36 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.72 83.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.466 HG21 HD12 ' A' ' 26' ' ' ILE . 31.1 mt -73.52 -31.15 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.7 82.38 10.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.27 -46.45 1.42 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.59 2.194 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.56 148.82 85.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.94 146.43 52.85 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.647 2.231 . . . . 0.0 112.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.26 91.15 3.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.49 -25.66 75.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.367 2.044 . . . . 0.0 112.151 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.71 -26.54 40.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.063 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -33.56 76.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.21 -31.45 67.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -85.3 -24.29 27.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.17 136.57 57.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.59 -29.02 70.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -41.09 85.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -30.03 64.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.21 -35.16 69.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.749 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -79.9 -29.93 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -48.41 80.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 t -62.08 -58.87 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.41 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.9 -54.16 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.75 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -68.39 -31.31 70.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -80.78 -41.76 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.3 t -75.47 -43.65 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.207 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.28 -42.47 52.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 110.078 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.07 -31.97 82.62 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -78.48 -29.34 46.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.008 0.433 . . . . 0.0 110.13 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -41.11 43.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.521 ' CZ ' ' CZ3' ' A' ' 6' ' ' TRP . 7.5 t80 -62.82 -54.24 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.772 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.83 -39.3 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.5 t -47.61 -28.62 2.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.893 0.378 . . . . 0.0 111.332 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.512 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -93.55 134.46 35.81 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.714 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 8.1 p-10 -96.27 0.08 50.42 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 176.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.0 154.66 34.14 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -28.35 63.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.084 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -54.66 20.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -59.68 -31.49 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CD1' ' HA ' ' A' ' 55' ' ' TYR . 13.4 t80 -67.81 -30.73 70.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -28.23 50.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -78.33 -53.86 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.029 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.09 -30.57 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.134 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -38.73 92.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.91 92.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -58.77 -46.99 86.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -55.8 29.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.2 mt -63.73 -31.42 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -68.43 -56.88 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.749 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -57.39 -44.26 84.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.6 mt -68.88 -32.65 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -48.43 81.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -77.14 -29.98 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.87 -30.2 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 mt -59.14 -31.28 68.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -41.85 91.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.99 -31.64 71.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.795 0.331 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 29.2 tp -55.92 -35.36 66.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.796 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.8 m -78.07 -31.32 50.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.791 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.25 -31.2 60.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 42.1 mt -68.0 -45.1 75.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.5 mp -68.65 -33.54 74.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.34 -32.48 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -64.06 -48.91 74.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -74.94 -31.64 61.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.52 -32.1 72.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.461 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 120.448 0.166 . . . . 0.0 111.328 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.13 61.25 2.65 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 107.215 -2.354 . . . . 0.0 107.215 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.747 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.52 -64.11 1.25 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -175.038 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.409 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 3.2 t-80 -74.74 -13.72 60.64 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.468 -177.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.94 -53.32 7.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -120.56 22.24 11.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.495 HG21 ' CE3' ' A' ' 6' ' ' TRP . 98.3 t -107.21 -52.94 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.409 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 2.9 p 53.33 170.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.542 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -74.62 -46.6 37.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.238 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.15 -56.18 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.375 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -30.48 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.998 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -64.69 -45.79 85.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -30.94 69.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -31.14 67.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.422 HD13 ' CE2' ' A' ' 64' ' ' TYR . 8.1 mt -79.42 -31.53 42.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.89 -30.39 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.034 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -73.24 -29.2 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -43.19 89.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.806 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.2 mt -62.4 -31.74 72.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.4 t -73.87 -28.8 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.043 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -73.37 -28.82 62.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.85 -66.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.192 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.6 mp -62.28 -31.76 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -139.0 83.07 18.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.67 -63.79 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.3 p -59.96 141.39 89.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -77.61 167.27 24.43 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.64 2.227 . . . . 0.0 112.3 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -177.64 110.93 0.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.779 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.55 -27.03 46.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.428 2.085 . . . . 0.0 112.202 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.57 -29.18 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.96 -30.04 67.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.51 -33.75 70.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -84.56 -24.24 29.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.31 157.31 11.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.17 -31.55 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -57.78 -51.81 68.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 tpt -57.96 -30.32 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -57.22 -39.25 75.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.65 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -79.94 -29.07 39.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.91 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -43.43 90.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.15 -59.64 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.83 -41.09 81.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -60.44 -46.96 88.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.21 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.234 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -68.03 -35.37 78.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -76.2 -36.82 58.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.1 t -75.49 -51.49 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.216 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -49.34 -46.97 47.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.917 0.389 . . . . 0.0 110.289 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.5 77.53 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.452 -0.88 . . . . 0.0 110.961 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.34 -28.99 47.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.948 0.404 . . . . 0.0 110.309 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -66.92 -45.69 77.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.747 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 43.8 t80 -60.81 -22.68 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.198 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.65 -30.68 17.0 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.133 -0.355 . . . . 0.0 111.694 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.3 t -67.36 -48.65 66.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.981 0.419 . . . . 0.0 110.561 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.524 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -75.32 131.08 40.04 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.117 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 1.3 p-10 -99.4 6.48 46.04 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 176.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.83 170.98 17.51 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.339 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HG2' ' CG2' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -69.0 -60.36 2.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.8 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.27 -45.73 45.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.19 -49.5 77.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.274 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CE2' HD13 ' A' ' 18' ' ' LEU . 25.4 t80 -48.99 -42.98 39.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.773 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.421 ' CE1' HD23 ' A' ' 18' ' ' LEU . 1.1 m-85 -77.94 -25.65 48.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.176 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -74.41 -57.34 4.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.845 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -32.99 73.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.727 0.298 . . . . 0.0 111.097 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.34 -31.46 69.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.806 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.74 -35.68 51.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -57.17 -45.39 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -60.02 -54.03 50.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.55 -31.38 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -70.29 -44.66 67.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.793 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -45.39 64.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.4 mt -66.45 -32.82 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -64.27 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -29.48 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.47 -24.76 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.7 tp -55.49 -39.14 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.271 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -31.06 68.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.961 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.45 -31.28 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.755 0.312 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.51 -36.24 66.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -31.54 50.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.812 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.12 -44.64 72.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.76 -44.48 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tp -59.55 -31.11 69.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -61.47 -42.43 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.59 -30.99 69.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -80.42 -43.52 20.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.22 -30.15 70.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 7.5 ttp . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.456 0.17 . . . . 0.0 111.334 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.5 62.63 2.29 Favored Glycine 0 C--N 1.334 0.466 0 N-CA-C 107.253 -2.339 . . . . 0.0 107.253 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.72 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.4 -64.16 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -174.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.425 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 20.5 t60 -77.42 -14.35 59.72 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.654 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -47.6 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 9' ' ' HIS . 8.9 t60 -125.9 22.47 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.475 HG22 ' CE3' ' A' ' 6' ' ' TRP . 74.7 t -106.52 -51.42 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.425 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 3.2 p 53.1 170.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.502 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -74.62 -40.33 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.213 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.91 -56.13 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.446 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -31.05 67.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.938 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -64.6 -47.39 78.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -30.59 68.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -71.86 -30.77 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 11.8 mt -80.16 -30.45 38.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.8 t -62.2 -30.77 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -32.1 69.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -59.33 -43.9 92.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -32.15 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -74.81 -29.66 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -29.37 63.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.25 -58.2 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.488 HD11 HG21 ' A' ' 26' ' ' ILE . 33.1 mt -71.4 -31.02 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.413 ' CE2' ' CD1' ' B' ' 101' ' ' PHE . 0.1 OUTLIER -137.04 83.61 27.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.98 -46.25 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.575 2.183 . . . . 0.0 112.434 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.76 149.86 81.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.12 153.44 67.29 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.28 87.59 1.64 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.743 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.98 -26.91 83.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.496 2.131 . . . . 0.0 112.1 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.69 -24.9 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.048 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.18 71.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.21 -31.8 69.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.749 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.34 -25.15 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.28 137.68 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -31.24 71.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -36.86 78.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.3 tpt -58.33 -29.41 65.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -34.64 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.728 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -79.93 -30.82 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.808 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.67 -42.74 89.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 t -67.13 -58.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.95 -34.9 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -65.79 -51.02 62.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.23 -31.19 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -64.39 -30.84 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -37.91 57.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.66 -51.93 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.62 -49.12 48.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.892 0.377 . . . . 0.0 110.287 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.84 -29.36 72.11 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.047 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.33 -29.58 47.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.028 0.442 . . . . 0.0 110.227 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.3 mmt -64.44 -38.34 90.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.761 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.72 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 46.7 t80 -68.78 -22.83 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -90.52 -32.95 16.12 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.784 0.326 . . . . 0.0 111.654 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 t -67.54 -50.26 59.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.894 0.378 . . . . 0.0 110.459 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.527 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -72.16 128.94 37.25 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.868 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.475 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 13.1 p-10 -98.45 7.26 46.41 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.8 m -148.63 174.59 11.98 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.212 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HG2' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.27 -57.44 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.982 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.99 -37.22 52.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -68.69 -41.14 79.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.428 ' CE2' ' CD1' ' A' ' 18' ' ' LEU . 28.3 t80 -60.83 -39.32 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.759 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -30.39 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -80.87 -55.71 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.339 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -53.86 -27.67 31.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.217 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 67' ' ' LEU . 2.5 tt -75.93 -37.78 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -33.58 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.34 -37.88 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -68.41 -55.76 10.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.724 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 13.2 mt -64.73 -30.97 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -68.06 -57.84 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.753 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -45.66 88.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.3 mt -67.82 -30.64 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -61.21 -44.07 97.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -74.84 -30.85 61.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.51 -29.01 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.9 tp -57.47 -30.54 65.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -74.21 -31.19 62.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -31.62 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.977 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.774 0.321 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.6 -36.58 67.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.817 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 28.0 m -78.16 -31.08 49.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.83 -38.25 87.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 6.9 mt -73.19 -31.08 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 tp -76.45 -37.57 56.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.71 -30.22 70.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.413 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 5.6 t80 -58.47 -54.91 41.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 93.7 p -77.26 -38.18 51.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.79 71.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 24.0 tpp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.504 ' O ' ' C ' ' A' ' 5' ' ' GLY . 9.7 mtmm . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 36.51 41.64 0.57 Allowed Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.679 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -74.87 -64.28 1.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -175.228 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.402 ' CE1' ' OH ' ' A' ' 55' ' ' TYR . 9.4 m80 -80.48 -13.82 58.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.409 ' HG2' ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.64 -48.06 10.5 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -178.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.84 21.38 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.482 HG23 ' CE3' ' A' ' 6' ' ' TRP . 71.6 t -109.51 -50.5 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p 48.67 -179.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.63 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -74.89 -52.51 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.608 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.26 -56.12 25.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.783 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -29.74 67.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.057 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -68.84 -51.62 38.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -59.5 -30.72 68.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -64.6 -30.75 71.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 11.9 mt -81.36 -29.25 34.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.9 t -58.44 -30.57 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.078 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -61.28 -28.55 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.85 -42.48 84.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.11 -34.55 76.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.764 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.9 t -74.07 -29.86 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.83 -28.29 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.96 -66.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 mp -62.9 -30.54 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.85 84.84 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.41 -46.21 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.613 2.209 . . . . 0.0 112.387 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 p -74.14 148.0 86.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.44 146.31 49.85 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.595 2.197 . . . . 0.0 112.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.13 92.05 3.32 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.58 -25.15 75.39 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.387 2.058 . . . . 0.0 112.18 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.23 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.16 75.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.62 -31.34 68.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.667 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -85.08 -24.25 28.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.31 146.56 47.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -73.14 -30.82 63.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -60.61 -37.38 81.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -30.22 61.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.81 -33.72 68.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.619 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -79.94 -30.75 39.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.776 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -44.93 90.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -60.29 -58.53 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.019 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.8 -39.84 71.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CZ ' HD21 ' B' ' 95' ' ' LEU . 31.8 t80 -62.75 -57.54 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.764 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.1 94.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -60.15 -30.98 69.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -44.28 54.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -68.05 -54.04 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -50.32 -46.67 55.67 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.21 -29.3 74.05 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.374 -0.917 . . . . 0.0 110.907 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -78.31 -29.79 47.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.007 0.432 . . . . 0.0 110.17 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.1 mmt -65.4 -33.04 75.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.679 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 43.0 t80 -74.79 -22.65 58.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.164 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.27 -22.57 21.54 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 122.194 -0.316 . . . . 0.0 111.828 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.1 t -81.67 -42.07 20.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.995 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.554 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -75.29 125.37 28.83 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.444 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.493 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.5 p-10 -88.38 2.54 52.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.31 162.44 37.73 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -59.62 -49.58 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.48 -48.68 47.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -64.81 -36.08 83.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.44 ' CE2' ' CD1' ' A' ' 18' ' ' LEU . 28.1 t80 -61.66 -39.37 91.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.781 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.418 ' CE1' HD22 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -77.71 -30.11 51.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -80.81 -57.11 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.62 -27.64 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 67' ' ' LEU . 5.3 tp -78.81 -41.45 30.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.16 90.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.094 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -58.8 -43.06 90.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -64.14 -55.74 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 32.2 mm -64.17 -29.21 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.69 -52.55 36.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.818 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -45.53 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.3 mt -63.26 -29.94 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.17 -54.74 43.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.72 -29.86 70.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -26.26 62.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.015 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.66 -52.67 61.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.029 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -30.76 46.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.2 -28.05 69.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.008 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.733 0.301 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.42 HD21 ' CZ ' ' A' ' 46' ' ' TYR . 0.5 OUTLIER -55.13 -33.05 62.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.859 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 28.4 p -78.02 -35.44 49.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -78.72 -31.32 46.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 6.4 mt -78.4 -44.37 25.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.29 -38.55 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -66.11 -36.53 83.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.423 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 16.0 t80 -60.17 -34.34 73.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.4 t -86.19 -34.99 20.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.62 -31.47 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.628 ' O ' ' O ' ' A' ' 59' ' ' ASN . 2.9 mtmm . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 119.691 -0.195 . . . . 0.0 111.339 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 32.03 45.91 0.2 Allowed Glycine 0 C--N 1.347 1.14 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.02 -64.31 1.22 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -175.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -74.25 -12.09 60.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.43 -53.39 5.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -177.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.442 ' HB3' ' HG3' ' A' ' 61' ' ' ARG . 48.4 t-80 -138.48 34.09 2.26 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.447 HG21 ' HG2' ' A' ' 61' ' ' ARG . 5.1 t -100.71 -62.29 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.806 177.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p 55.44 169.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.315 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -74.33 -36.13 63.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.63 -56.02 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.54 -37.07 85.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.45 -47.59 75.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 t -58.26 -30.79 66.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -73.45 -29.86 62.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.84 -30.33 32.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.1 t -57.57 -31.42 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -71.99 -29.24 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.823 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -57.84 -41.49 82.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.719 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -36.25 78.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.2 t -77.4 -30.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -73.33 -31.43 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.34 -47.12 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.6 mt -74.4 -38.59 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -132.43 73.02 77.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.42 -62.72 0.24 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.612 2.208 . . . . 0.0 112.343 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 p -59.91 148.12 77.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.32 146.45 50.79 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.518 2.145 . . . . 0.0 112.317 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.7 t70 -150.92 91.9 3.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.59 -25.88 75.66 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.413 2.075 . . . . 0.0 112.149 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.32 40.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.83 -33.4 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.96 -31.77 70.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.98 -25.34 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.08 142.56 51.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.8 -29.74 68.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HD3' ' CG ' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -58.84 -39.77 82.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.942 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 42.1 tpp -59.5 -29.11 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -56.68 -31.62 64.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.91 -32.99 40.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.812 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -43.15 98.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.9 t -60.3 -58.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.6 73.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -60.13 -56.83 16.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.785 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.04 -29.4 70.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -65.69 -39.0 90.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -80.83 -36.42 31.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.055 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' MET . 22.0 t -75.61 -46.0 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.391 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -48.47 -47.11 38.7 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.759 0.314 . . . . 0.0 110.377 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.25 -32.63 83.33 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.42 -0.895 . . . . 0.0 110.955 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.5 -28.11 46.28 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.027 0.441 . . . . 0.0 110.359 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -73.59 -35.45 65.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.827 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 4.2 t80 -67.52 -54.85 16.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.59 -30.49 65.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.834 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.52 -27.83 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.401 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.467 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -94.92 127.46 40.98 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.877 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.628 ' O ' ' O ' ' A' ' 4' ' ' LYS . 3.3 m-20 -77.83 -5.24 50.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 176.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 52.9 m -153.99 178.7 9.65 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.172 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HG2' HG21 ' A' ' 10' ' ' VAL . 1.1 tmm_? -67.19 -60.3 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.82 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -46.78 -48.56 20.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.58 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.88 -34.86 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.091 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.493 ' CE1' ' HA ' ' A' ' 55' ' ' TYR . 28.6 t80 -67.0 -29.68 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.062 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -43.27 31.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.144 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -79.36 -30.09 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.89 -54.7 8.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.58 -36.54 74.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.65 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.203 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -43.01 88.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -62.61 -55.84 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.721 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.3 mt -63.19 -31.58 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.715 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -73.18 -37.73 66.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.703 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -78.5 -45.31 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.8 mt -65.81 -32.99 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.11 -54.03 50.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -31.05 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.8 -31.56 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.12 -31.4 68.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.009 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.34 -31.28 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.81 -31.26 70.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.956 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.801 0.334 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.54 -36.81 67.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.842 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 81.1 p -78.15 -31.19 49.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.756 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.39 -36.06 77.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -79.99 -31.26 39.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 9.0 tp -61.37 -48.38 81.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.03 -32.67 71.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.415 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 45.3 t80 -60.58 -42.4 96.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -72.38 -31.79 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.86 -38.44 57.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 12.5 mmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.445 ' HD3' ' CB ' ' A' ' 59' ' ' ASN . 0.9 OUTLIER . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.384 0.135 . . . . 0.0 111.253 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.29 63.88 2.12 Favored Glycine 0 C--N 1.334 0.422 0 N-CA-C 107.144 -2.382 . . . . 0.0 107.144 175.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.686 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.01 -64.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -174.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.422 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 11.1 t60 -69.22 -13.62 62.51 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.434 -177.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.91 -53.17 7.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 16.0 t60 -122.42 24.67 9.21 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 6' ' ' TRP . 97.1 t -108.82 -56.08 4.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.422 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 1.0 OUTLIER 46.34 -174.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.621 178.624 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.05 -47.45 28.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.454 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -56.33 20.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.813 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -65.8 -42.6 90.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.309 . . . . 0.0 110.972 -179.562 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -60.04 -50.98 71.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -58.32 -39.51 79.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -59.25 -28.89 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.419 HD23 ' CE2' ' A' ' 64' ' ' TYR . 3.6 mp -82.38 -29.75 30.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.64 -36.67 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -62.14 -31.28 71.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -60.09 -44.65 94.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -60.67 -38.02 83.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.5 t -65.79 -29.76 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -73.32 -29.96 63.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.16 -54.12 50.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.8 mt -74.27 -41.67 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 29' ' ' THR . 6.9 t80 -130.9 82.76 63.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.726 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.57 -62.6 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.707 2.272 . . . . 0.0 112.556 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.408 ' O ' ' CZ ' ' A' ' 27' ' ' PHE . 1.1 p -81.43 140.41 48.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -77.97 179.23 6.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.562 2.175 . . . . 0.0 112.321 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -178.01 130.32 0.3 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.33 -29.8 20.59 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.393 2.062 . . . . 0.0 112.23 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.77 -30.98 40.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.06 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.38 -30.45 64.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -88.18 -24.04 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.38 161.53 4.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -29.19 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.125 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -56.16 -47.11 78.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.028 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -32.18 67.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.34 -40.26 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.564 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -80.03 -30.02 39.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.741 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -43.79 94.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.2 t -61.94 -59.34 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.62 95.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CD1' HG21 ' A' ' 50' ' ' VAL . 31.2 t80 -59.79 -51.74 68.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.42 -28.33 69.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -69.14 -37.5 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.053 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -80.64 -36.1 33.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.039 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' A' ' 46' ' ' TYR . 23.5 t -75.43 -46.15 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.208 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -49.67 -46.15 49.51 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.53 -31.45 77.68 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.417 -0.897 . . . . 0.0 110.87 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.43 -29.3 46.97 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.992 0.425 . . . . 0.0 110.165 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.4 mmt -77.19 -50.18 13.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.686 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 24.6 t80 -61.93 -23.11 66.15 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.217 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.28 -27.26 20.68 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 t -54.38 -24.37 19.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.628 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -99.01 137.15 37.95 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.506 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.445 ' CB ' ' HD3' ' A' ' 4' ' ' LYS . 5.7 p-10 -102.87 2.72 35.7 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 m -145.32 176.88 9.23 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.614 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.448 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.37 -59.6 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.175 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.63 -29.69 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -68.71 -36.99 79.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' A' ' 55' ' ' TYR . 12.0 t80 -68.97 -38.37 79.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.993 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -29.77 65.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -80.88 -57.11 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 pp -59.18 -29.8 67.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' CD2' ' CD1' ' A' ' 72' ' ' ILE . 4.5 tt -69.07 -52.08 32.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.24 -38.39 73.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.73 -38.6 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -55.86 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.4 ' CD1' ' CD2' ' A' ' 68' ' ' LEU . 3.9 mt -63.98 -31.34 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -64.83 -42.89 94.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.708 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -76.63 -43.2 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.948 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.68 -33.82 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -61.03 -41.15 96.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -77.54 -29.56 52.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.7 -31.04 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.28 -31.31 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -70.52 -31.16 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -60.18 -34.01 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.76 0.314 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.7 mt -55.67 -36.57 67.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.81 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 30.1 t -78.07 -31.13 50.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.01 -40.99 95.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mp -76.08 -42.51 47.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 6.0 tp -58.94 -30.16 67.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -62.01 -46.81 87.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.82 -42.51 93.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 72.8 m -75.22 -39.85 59.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.52 -34.29 72.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.533 ' O ' ' C ' ' A' ' 5' ' ' GLY . 3.9 mtmm . . . . . 0 N--CA 1.448 -0.546 0 CA-C-O 119.67 -0.205 . . . . 0.0 111.498 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 33.22 44.05 0.24 Allowed Glycine 0 C--N 1.347 1.142 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.62 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -80.25 -64.16 1.25 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -74.78 -12.1 60.32 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.29 -52.8 5.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -177.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.85 36.33 2.39 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 1.7 t -117.69 -52.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p 50.62 175.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.604 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -74.71 -41.51 60.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.266 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -57.69 -56.27 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.497 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -33.37 73.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.806 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -60.46 -32.24 71.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 -37.57 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.786 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -65.24 -37.31 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.416 HD22 ' CE2' ' A' ' 65' ' ' TYR . 8.3 mt -69.74 -31.98 70.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.796 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.3 t -63.72 -29.84 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.05 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -69.56 -32.08 70.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -59.44 -43.87 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.808 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -32.11 70.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.6 t -77.31 -31.04 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -72.73 -34.59 67.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.5 82.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.455 HG23 HD13 ' A' ' 26' ' ' ILE . 33.9 mt -71.54 -30.57 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.011 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.401 ' CE2' ' HA ' ' B' ' 102' ' ' SER . 0.3 OUTLIER -148.18 85.06 6.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.61 -46.04 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.562 2.175 . . . . 0.0 112.363 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.7 p -67.66 146.73 98.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.34 146.45 40.09 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.605 2.204 . . . . 0.0 112.284 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -151.25 89.87 4.16 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.753 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.73 -25.81 75.06 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.432 2.088 . . . . 0.0 112.165 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -24.45 41.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.72 -36.77 70.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.113 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.28 -31.68 65.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -87.04 -24.97 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.86 137.81 49.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -59.39 -27.56 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.06 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HG3' ' CD2' ' B' ' 101' ' ' PHE . 2.6 tmm_? -52.01 -51.19 58.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -26.47 60.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.3 -33.23 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -79.9 -31.12 40.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -52.36 65.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.5 -58.95 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.86 67.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -61.79 -47.88 83.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.742 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.23 63.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -35.69 80.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.109 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -80.85 -36.23 31.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.027 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.55 -46.0 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.88 -46.79 43.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.785 0.326 . . . . 0.0 110.237 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.8 -32.04 80.36 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.298 -0.953 . . . . 0.0 110.859 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.47 -27.01 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.007 0.432 . . . . 0.0 110.272 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 31.4 mmt -78.15 -39.23 41.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.62 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 4.9 t80 -68.4 -54.76 15.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.735 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -48.95 -36.28 17.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.3 t -51.81 -54.34 29.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 111.394 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.453 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -64.29 128.38 35.55 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.219 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.53 ' O ' ' O ' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -84.13 -1.99 56.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.522 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.43 -172.71 4.32 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.786 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.4 ' HG3' HG22 ' A' ' 10' ' ' VAL . 10.1 ttp85 -72.96 -55.43 6.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.7 -53.15 51.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.483 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.52 -25.31 16.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.245 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.414 ' CE1' ' HA ' ' A' ' 55' ' ' TYR . 10.6 t80 -79.03 -44.8 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.416 ' CE2' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -66.12 -27.18 67.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.34 -57.07 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.11 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.9 -30.54 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.101 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -36.25 83.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.65 99.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.96 -45.46 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.04 -55.87 21.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.2 mt -60.9 -30.77 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -75.16 -57.25 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -57.94 -48.2 80.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.9 mt -62.93 -29.92 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.176 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -66.32 -50.7 62.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -77.52 -31.13 53.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -61.28 -30.83 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.21 -31.1 68.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.23 -31.0 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.06 -32.52 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.756 0.312 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 8.6 tt -55.29 -33.0 62.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.829 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.6 m -78.16 -34.51 49.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.67 -31.01 46.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 12.0 tp -74.66 -34.84 62.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.28 -29.16 38.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.52 -48.81 78.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.415 ' CD2' ' HG3' ' A' ' 39' ' ' ARG . 22.3 t80 -59.57 -31.31 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' SER . . . . . 0.401 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 1.2 m -81.04 -31.5 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.43 -31.0 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.454 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 120.373 0.13 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.82 64.5 1.89 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 107.153 -2.379 . . . . 0.0 107.153 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.547 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.7 -65.29 1.03 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 -174.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -62.45 -13.06 25.93 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.001 -0.999 . . . . 0.0 113.48 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.38 -52.59 7.58 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -177.659 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.401 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 69.6 t60 -133.94 37.39 3.24 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -112.98 -46.19 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.788 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p 47.55 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.711 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -52.58 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.579 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.66 -56.29 22.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.761 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.6 68.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 111.024 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -69.06 -52.18 31.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.705 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -60.44 -38.59 84.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -59.59 -31.42 69.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.421 HD22 ' CE1' ' A' ' 65' ' ' TYR . 5.9 mt -77.28 -33.16 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.782 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.3 t -59.74 -31.23 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.66 -28.94 69.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -57.77 -45.33 86.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -60.28 -32.12 70.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.763 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.8 t -73.57 -30.25 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -31.28 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 -38.14 75.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.063 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.4 mt -87.53 -32.02 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 29' ' ' THR . 9.9 t80 -141.48 78.68 18.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.767 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.8 -62.17 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.686 2.258 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.408 ' O ' ' CZ ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -69.24 136.36 89.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.71 175.5 11.29 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.496 2.13 . . . . 0.0 112.27 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -177.17 130.29 0.34 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 -27.17 24.46 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.482 2.121 . . . . 0.0 112.293 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.62 -29.58 41.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.27 -47.96 83.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.54 -27.82 58.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.74 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -93.26 -22.24 19.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 151.72 15.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.855 0.359 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -73.11 -29.69 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' NE ' ' CD2' ' B' ' 101' ' ' PHE . 2.6 ppt_? -62.09 -34.5 76.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.953 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.2 tpt -59.95 -29.48 68.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -56.74 -34.0 67.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -79.97 -31.19 39.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.62 -42.67 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.34 -59.38 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.35 76.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -67.37 -51.8 47.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.53 -30.98 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -64.61 -32.18 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -40.93 24.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.3 t -75.54 -44.77 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.88 -42.84 48.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.887 0.375 . . . . 0.0 110.269 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.76 81.53 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.446 -0.883 . . . . 0.0 110.917 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -78.51 -28.39 46.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.957 0.408 . . . . 0.0 110.245 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.9 mmt -70.42 -49.74 45.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.547 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 9.2 t80 -57.31 -54.11 50.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.13 -39.35 63.42 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.1 t -47.07 -29.05 1.96 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 111.394 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.523 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -93.03 134.98 34.62 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.621 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.43 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 8.5 p-10 -97.24 0.8 48.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m -148.42 -178.75 6.49 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.708 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -74.41 -55.76 5.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -55.86 -42.04 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -59.06 -31.3 68.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.418 ' CE2' HD12 ' A' ' 18' ' ' LEU . 9.4 t80 -76.02 -30.47 58.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.421 ' CE1' HD22 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -76.68 -28.8 56.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.983 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -80.9 -51.96 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 pp -57.77 -29.93 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.064 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.91 -53.08 23.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 72' ' ' ILE . . . -61.86 -22.46 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.83 -37.93 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 110.407 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -41.74 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.405 HG23 ' O ' ' A' ' 69' ' ' ALA . 8.3 tt -58.68 -40.36 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 110.986 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.17 -32.18 61.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.68 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -70.18 -56.25 7.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.5 mt -63.35 -29.97 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.08 -31.22 68.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -75.83 -31.14 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -61.26 -31.48 71.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.83 -31.39 69.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.22 -31.6 72.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.06 -31.38 72.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.765 0.317 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.48 -35.53 65.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 36.5 m -78.05 -31.36 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.809 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.47 -43.04 77.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.71 -35.61 72.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 7.6 tp -69.74 -33.18 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.32 -36.15 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.456 ' CD2' ' NE ' ' A' ' 39' ' ' ARG . 83.0 t80 -63.85 -47.41 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 70.8 m -67.66 -37.62 82.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.67 -40.35 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 15.3 ttm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 111.342 0.127 . . . . 0.0 111.342 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.68 60.83 2.48 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 107.34 -2.304 . . . . 0.0 107.34 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.18 -64.34 1.2 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -175.071 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.415 ' CE1' ' OH ' ' A' ' 55' ' ' TYR . 39.6 m80 -74.65 -12.88 60.55 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.459 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.81 -53.1 6.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -177.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.401 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 4.9 m170 -123.72 19.55 9.44 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.458 HG22 ' CE3' ' A' ' 6' ' ' TRP . 87.5 t -103.1 -56.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' VAL . 1.3 p 53.71 164.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.546 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -74.87 -48.22 26.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.692 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.39 -56.27 22.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.812 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 10' ' ' VAL . 6.9 tt -63.19 -29.71 71.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.072 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -65.49 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.745 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -31.5 69.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -72.12 -31.64 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 HD23 ' CE1' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -78.72 -30.94 46.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.64 -29.57 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -72.22 -27.91 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -57.44 -46.21 83.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.73 -31.83 69.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.8 t -74.13 -29.71 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -70.82 -26.78 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.84 -64.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.166 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mt -63.13 -30.77 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.69 85.04 17.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.51 -46.23 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.58 2.186 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.19 148.4 86.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.18 146.54 51.79 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.548 2.165 . . . . 0.0 112.322 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -152.88 89.83 3.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -62.07 -26.21 78.07 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.471 2.114 . . . . 0.0 112.135 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.59 -26.06 41.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.059 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.12 77.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.08 -31.4 67.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.744 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -85.43 -24.11 27.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.83 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.67 145.22 55.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -30.0 66.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -38.94 81.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -30.03 64.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -57.3 -32.84 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.803 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -79.95 -30.98 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.759 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -47.04 87.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.3 t -59.79 -58.98 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.27 67.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -69.12 -56.47 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.34 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -60.62 -30.83 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -42.22 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.6 t -70.8 -53.35 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.91 -46.72 52.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.858 0.361 . . . . 0.0 110.122 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.9 -29.73 73.25 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.34 -0.933 . . . . 0.0 110.915 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.2 -29.42 57.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.035 0.445 . . . . 0.0 110.098 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -31.65 72.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.693 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.644 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 27.6 t80 -78.4 -23.24 46.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.036 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.45 -25.43 20.34 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.74 0.305 . . . . 0.0 111.409 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -78.7 -34.96 45.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.011 0.434 . . . . 0.0 110.154 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.529 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -86.6 128.31 34.98 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.799 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.442 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.4 p-10 -97.61 4.91 50.07 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -152.28 157.2 41.05 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.732 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HD3' ' CB ' ' A' ' 9' ' ' HIS . 5.1 ttt85 -58.13 -50.83 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.785 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -50.06 -48.9 52.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.06 -36.86 85.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.558 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.414 ' HB2' ' CH2' ' A' ' 6' ' ' TRP . 28.0 t80 -61.24 -41.15 96.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.829 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.418 ' CE1' HD23 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.69 -29.29 51.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.038 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 39.4 m170 -80.67 -57.08 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.24 -27.75 62.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.049 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.434 ' N ' ' CD2' ' A' ' 67' ' ' LEU . 10.1 tt -74.12 -31.0 62.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.59 78.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -40.73 84.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -55.8 15.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.765 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 72' ' ' ILE . 47.5 mt -64.21 -31.73 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -72.3 -48.58 41.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.783 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -63.18 -45.26 92.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.5 mt -67.64 -34.32 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -35.72 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -31.65 63.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.85 -30.89 71.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -31.68 70.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -62.62 -33.02 74.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.04 -31.62 72.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 . . . . . 0 N--CA 1.46 0.046 0 CA-C-O 120.748 0.309 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.81 -36.61 67.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -31.33 50.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.8 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -44.44 69.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.79 -36.88 80.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.2 tp -80.27 -32.7 38.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -60.72 -45.07 95.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -60.13 -34.71 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.9 m -76.31 -31.53 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.63 -30.69 68.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.4 mtmm . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.724 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 32.25 45.23 0.19 Allowed Glycine 0 C--N 1.347 1.165 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.706 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.27 -64.18 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -175.261 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 62.5 t-80 -75.48 -13.33 60.37 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -52.67 7.94 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.431 ' CE1' HD23 ' A' ' 14' ' ' LEU . 7.7 t60 -127.37 38.49 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.499 HG23 ' CE3' ' A' ' 6' ' ' TRP . 47.8 t -121.12 -56.74 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.419 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 0.8 OUTLIER 44.44 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.935 178.26 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -75.16 -47.63 27.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.516 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.88 -56.37 23.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.965 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.431 HD23 ' CE1' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -62.26 -29.74 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.972 -179.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -69.65 -53.43 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.706 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -56.53 -37.73 70.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -62.13 -29.81 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.781 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' A' ' 65' ' ' TYR . 9.6 mt -80.99 -29.91 35.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 56.8 t -56.06 -40.91 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -60.59 -48.6 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.621 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -59.4 -32.96 70.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.5 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.2 tp -68.15 -34.34 76.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.423 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.3 t -77.32 -29.01 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.93 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -25.58 66.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.4 66.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.61 -31.39 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -134.78 76.22 60.38 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.757 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.12 -63.24 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.665 2.243 . . . . 0.0 112.598 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 p -69.53 153.24 95.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.994 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.63 160.83 41.39 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.655 2.236 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 3.9 t70 -163.52 88.52 1.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.37 -25.82 80.64 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.428 2.086 . . . . 0.0 112.182 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.65 -24.42 41.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.013 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.98 81.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.42 -30.78 63.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -85.48 -24.78 27.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.858 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.66 133.81 52.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -60.24 -29.38 68.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -38.52 77.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -29.84 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.23 -35.53 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.74 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -79.89 -30.33 40.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.856 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.04 -45.85 89.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 t -59.25 -57.81 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.48 -33.02 52.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CZ ' ' CD2' ' B' ' 95' ' ' LEU . 55.5 t80 -67.41 -54.27 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.688 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.43 -30.16 70.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -69.13 -32.94 72.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -75.07 -39.57 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 t -74.32 -51.25 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -50.19 -43.63 52.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.888 0.375 . . . . 0.0 110.0 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.21 -31.91 82.35 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.77 -31.86 57.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.111 0.481 . . . . 0.0 110.013 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.3 mmt -70.99 -31.74 68.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.507 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.706 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 41.0 t80 -73.14 -22.54 60.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.987 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -90.32 -21.93 21.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.26 -42.41 25.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.87 0.367 . . . . 0.0 111.055 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.621 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -75.62 126.05 30.24 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.566 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.475 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 12.7 m120 -91.82 5.65 49.08 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -161.94 164.33 28.52 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.744 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.43 ' NH2' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.73 -53.78 53.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.926 0.393 . . . . 0.0 110.772 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -46.45 -52.42 13.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.451 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -45.75 84.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -58.84 -35.12 72.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.417 ' CE1' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.77 -29.89 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.269 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -80.87 -57.18 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.48 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.1 pp -59.85 -31.64 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.271 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.61 -32.93 74.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.75 -27.68 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.324 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -53.89 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.228 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -44.13 89.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.151 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 mt -66.66 -32.41 57.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.731 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -70.65 -50.05 40.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.641 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.88 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.0 mt -66.97 -29.84 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.111 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -58.34 -31.17 67.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -77.37 -30.95 54.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.38 -29.92 69.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.75 -34.29 69.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.75 -31.32 70.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.9 -31.23 70.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.831 0.348 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.445 ' CD2' ' CZ ' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -55.41 -37.66 67.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -30.75 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -66.3 -38.69 88.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.04 -31.94 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tp -66.44 -29.9 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.15 -52.46 65.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -59.72 -31.16 69.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -75.61 -26.52 57.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.78 -27.43 41.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.268 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 42.8 mtt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.942 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.449 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 0.2 OUTLIER . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.247 0.07 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.67 64.3 1.84 Allowed Glycine 0 C--N 1.332 0.355 0 N-CA-C 107.095 -2.402 . . . . 0.0 107.095 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.562 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.63 -65.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -174.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -62.72 -12.82 26.27 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.055 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -43.93 -53.21 6.34 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -134.4 32.45 3.37 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -107.07 -49.22 8.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.692 177.743 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.6 p 53.86 169.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.344 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -74.55 -31.29 62.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.13 -56.22 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.191 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -35.73 79.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.937 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -60.77 -44.15 97.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.98 -46.49 89.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -59.29 -30.83 68.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 64' ' ' TYR . 81.8 mt -77.09 -29.94 55.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.1 t -67.01 -29.63 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -67.98 -29.04 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -45.41 85.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mp -59.93 -32.3 70.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.782 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.38 -30.05 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.6 -31.46 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.94 77.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.1 mt -71.4 -50.27 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -130.26 78.32 74.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.1 -62.22 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.627 2.218 . . . . 0.0 112.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 p -64.61 153.15 88.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.41 148.04 53.78 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.576 2.184 . . . . 0.0 112.305 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 18.8 p30 -140.34 86.55 12.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.4 -26.7 81.7 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.455 2.103 . . . . 0.0 112.029 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -25.45 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.57 -31.89 73.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.56 -31.11 69.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -87.09 -26.38 23.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.08 146.9 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.13 -27.75 61.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HD3' ' CD2' ' B' ' 101' ' ' PHE . 0.2 OUTLIER -57.25 -46.85 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.036 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -30.45 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -30.83 65.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -79.95 -31.58 39.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -41.87 85.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.2 t -59.95 -58.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.97 91.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -60.66 -53.16 60.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -28.25 69.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -70.42 -36.19 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -80.74 -34.37 34.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.063 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.6 t -75.52 -47.42 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.285 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -49.04 -46.38 44.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.792 0.33 . . . . 0.0 110.235 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.58 -31.15 78.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.451 -0.881 . . . . 0.0 110.926 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.4 -28.93 47.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.976 0.417 . . . . 0.0 110.258 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -48.92 52.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.837 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 8.9 t80 -59.6 -54.05 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.814 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.63 -39.52 61.82 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -46.88 -29.4 1.98 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 111.271 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.528 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -92.35 135.77 33.75 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.659 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.5 p-10 -94.45 -0.09 54.99 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.52 175.33 12.0 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.333 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.81 -44.46 61.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.0 -49.41 76.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.994 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.24 -30.6 68.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 55' ' ' TYR . 7.8 t80 -71.1 -31.77 68.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -29.91 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -75.26 -52.62 10.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.3 pp -58.5 -29.41 66.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.82 -44.12 86.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.42 92.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.44 -41.55 85.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -66.33 -55.8 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.763 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.6 mt -63.03 -31.56 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.745 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -71.54 -51.16 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.747 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -46.18 86.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.5 mt -67.14 -31.76 54.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -59.43 -52.57 65.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -63.65 -31.37 72.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.37 -30.71 71.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.7 -44.33 93.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.19 -31.64 70.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.69 -31.51 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.774 0.321 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.7 tp -55.86 -34.67 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.871 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.6 m -78.11 -33.8 50.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.81 -31.25 45.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.27 -30.64 69.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.1 mt -78.78 -30.88 45.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -59.33 -32.78 70.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.415 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 11.0 t80 -59.86 -48.56 81.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 59.9 p -66.17 -36.81 84.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.51 93.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 34.5 mtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.457 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.287 0.089 . . . . 0.0 111.047 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.85 64.65 1.89 Allowed Glycine 0 C--N 1.331 0.299 0 N-CA-C 107.191 -2.364 . . . . 0.0 107.191 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.564 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.79 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.021 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -62.11 -13.16 23.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.988 -1.005 . . . . 0.0 113.494 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -50.29 9.22 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -177.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -131.69 34.26 3.92 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -115.89 -41.56 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' VAL . 4.4 p 45.79 179.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.022 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -75.0 -46.92 31.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.532 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -72.76 -56.38 5.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.019 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' HB3' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -55.41 -29.54 58.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.113 -179.621 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -69.95 -35.24 74.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.716 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -33.92 72.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -57.76 -30.65 65.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.416 HD22 ' CZ ' ' A' ' 65' ' ' TYR . 4.1 mt -80.15 -26.52 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.1 t -64.65 -28.76 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -72.41 -29.65 63.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -57.54 -43.28 84.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.79 -33.64 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.38 -29.15 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -76.38 -37.34 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.47 85.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.6 mt -72.55 -46.83 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -132.45 72.97 77.63 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.0 -63.01 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.547 2.165 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 p -60.16 139.82 91.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 155.63 17.55 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.503 2.136 . . . . 0.0 112.229 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 32.8 p-10 -155.61 75.32 5.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.27 -25.5 65.29 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.593 2.195 . . . . 0.0 112.073 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.79 -23.84 41.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.45 -36.07 71.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -57.07 -29.29 63.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -84.29 -25.53 29.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.51 136.26 52.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -70.75 -32.49 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -31.1 63.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.08 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 tpt -55.07 -24.49 25.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -54.9 -28.44 50.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -78.83 -33.75 45.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -37.51 81.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.6 t -79.25 -58.14 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.93 -33.29 50.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.209 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.06 -52.89 61.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.778 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.53 -28.2 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -67.1 -39.19 86.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -80.79 -36.09 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.51 -45.79 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.453 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.08 -47.11 45.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.81 0.338 . . . . 0.0 110.294 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.6 77.15 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -78.5 -28.92 46.41 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.975 0.417 . . . . 0.0 110.251 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.6 mmt -77.41 -45.37 26.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.904 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.564 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -59.97 -54.29 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -41.49 62.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.8 t -46.97 -29.06 1.85 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.998 0.428 . . . . 0.0 111.4 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.507 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -93.13 134.59 35.13 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.645 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.438 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 22.2 m120 -95.98 -0.13 51.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 176.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.02 -178.53 6.54 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -51.08 16.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -46.87 79.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.069 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -58.24 -30.25 66.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.424 ' CE1' ' HA ' ' A' ' 55' ' ' TYR . 12.9 t80 -74.06 -37.03 64.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.416 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -75.04 -28.43 60.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -73.42 -57.04 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 pp -57.86 -36.51 72.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.08 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.416 HD11 ' CE1' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -59.73 -36.08 75.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.19 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.17 -37.96 75.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -55.77 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.7 mt -63.13 -32.49 56.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.41 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 30.5 t80 -75.13 -45.72 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -67.62 -46.92 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.3 mt -66.8 -31.42 53.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -59.68 -49.42 77.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 25.3 mtpt -77.52 -27.17 51.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.13 -40.59 70.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.23 -30.38 66.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.94 -31.48 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.02 -31.32 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 mt -54.9 -36.05 64.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 96.9 p -78.13 -31.18 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -78.62 -31.15 46.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 mt -79.81 -50.53 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.44 -41.48 94.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.46 -31.23 69.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.71 -39.84 94.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' SER . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 28.5 p -74.22 -45.59 47.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.76 68.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 43.0 ttm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.468 ' HD3' ' HB2' ' A' ' 59' ' ' ASN . 1.4 mtmm . . . . . 0 N--CA 1.457 -0.08 0 N-CA-C 111.269 0.1 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.88 64.93 1.88 Allowed Glycine 0 C--N 1.332 0.345 0 N-CA-C 107.152 -2.379 . . . . 0.0 107.152 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.629 ' NE1' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -85.65 -64.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.467 ' HA ' HG21 ' A' ' 10' ' ' VAL . 95.4 m-70 -64.19 -13.24 47.43 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.983 -177.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -53.68 6.75 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -177.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 21.6 t-160 -133.35 40.68 3.15 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.541 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 0.6 OUTLIER -103.67 -54.74 6.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.888 177.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 p 55.61 167.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.3 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -74.31 -33.22 63.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.08 -56.07 25.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.61 -40.42 96.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.0 ttp85 -62.24 -52.92 61.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.1 m -57.71 -29.76 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.9 -30.32 65.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.417 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 1.2 mp -81.27 -30.24 34.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.54 -41.02 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -60.76 -27.57 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -43.44 81.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.821 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.09 -39.34 89.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.5 -28.54 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.05 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -74.44 -33.95 63.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.09 90.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.1 mt -81.04 -31.31 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.63 77.74 16.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.63 -62.05 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.39 147.94 94.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.47 146.61 44.84 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.517 2.145 . . . . 0.0 112.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -149.5 81.06 7.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.64 -19.06 43.52 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.591 2.194 . . . . 0.0 112.308 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.45 -26.27 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.94 -26.5 59.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.93 -29.41 42.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -96.43 -28.91 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.45 140.22 54.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -59.96 -30.08 68.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' B' ' 101' ' ' PHE . 2.1 tmm_? -51.19 -52.74 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -29.29 67.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.7 -32.86 63.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -79.89 -31.61 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.74 -43.45 96.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.1 t -58.39 -58.81 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.81 -34.51 71.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -64.24 -54.7 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.682 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.24 -29.7 64.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.061 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -34.56 78.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -39.08 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.48 -43.46 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.327 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -49.7 -43.68 47.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.868 0.366 . . . . 0.0 110.215 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.19 -32.46 84.23 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.38 -29.14 47.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 0.0 110.123 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 30.7 mmt -79.91 -32.26 40.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.596 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 15.7 t80 -76.44 -23.93 53.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.38 -30.66 18.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.655 0.264 . . . . 0.0 111.424 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.84 -28.04 5.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.013 0.435 . . . . 0.0 110.766 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.629 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -90.29 134.49 34.27 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.99 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.468 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 1.1 p-10 -104.55 5.18 33.7 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.26 173.64 13.74 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.77 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 61' ' ' ARG . 1.5 tpm_? -67.91 -60.61 2.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -50.7 -42.4 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.565 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -52.59 -48.81 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.12 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.417 ' CZ ' HD23 ' A' ' 18' ' ' LEU . 24.3 t80 -55.75 -29.12 59.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.78 -55.72 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.199 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -49.03 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 tt -53.8 -57.67 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.328 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 tt -52.81 -26.88 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.299 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.89 -40.25 65.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.038 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.52 -46.94 88.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.787 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -55.76 30.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.737 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.0 mt -63.31 -31.79 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -67.41 -48.59 66.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.72 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -67.28 -45.55 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.4 mt -63.86 -37.2 79.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.17 -33.77 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.827 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -77.41 -31.08 53.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.89 -35.44 80.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 67.2 tp -58.34 -31.53 67.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.1 -30.78 68.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -32.21 72.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mttm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.759 0.314 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 tt -55.44 -38.96 69.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 26.2 t -78.08 -30.94 49.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.85 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.79 -30.74 65.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 mt -75.89 -36.9 59.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.61 -37.82 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.8 -32.41 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.426 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 83.1 t80 -59.69 -38.87 82.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -77.11 -31.98 56.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.55 -31.36 42.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.528 ' O ' ' C ' ' A' ' 5' ' ' GLY . 2.7 mtmm . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 33.65 43.47 0.27 Allowed Glycine 0 C--N 1.348 1.222 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.705 ' HZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -80.47 -64.34 1.21 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -175.571 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -80.12 -13.02 59.6 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -176.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.82 -40.52 4.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.65 -178.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -133.57 20.21 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.456 HG23 ' CE3' ' A' ' 6' ' ' TRP . 15.7 t -114.37 93.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -126.81 -173.56 2.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.112 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -64.01 -42.63 97.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.086 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.58 -42.41 82.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.029 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -31.22 55.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.081 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.2 ttm105 -71.97 -30.6 65.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -58.29 -30.71 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -75.65 -31.26 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.402 HD21 ' CE1' ' A' ' 65' ' ' TYR . 6.2 mt -78.46 -37.35 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 t -59.87 -49.76 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -65.2 -32.44 74.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -62.98 -44.72 95.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -31.76 71.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.51 -30.79 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -62.73 -28.47 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.54 -62.65 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.199 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.28 -32.56 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.246 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.73 79.77 27.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.66 -64.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.646 2.231 . . . . 0.0 112.391 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.42 157.52 85.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.52 160.75 47.96 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.736 2.291 . . . . 0.0 112.176 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.75 86.23 0.97 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.732 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.55 -25.05 79.86 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.491 2.128 . . . . 0.0 112.104 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -24.34 41.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.64 79.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt -57.26 -31.02 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -86.11 -24.07 26.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.41 135.23 56.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -30.04 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -39.81 82.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -29.61 64.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -33.56 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.752 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -80.0 -31.28 39.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.793 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -43.84 94.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.64 -58.7 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.053 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -33.41 64.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -64.62 -51.62 61.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.702 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -28.15 69.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -72.9 -34.17 66.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.86 -37.93 29.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.014 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.51 -44.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -49.62 -43.79 46.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.848 0.356 . . . . 0.0 110.139 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.82 82.06 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.385 -0.912 . . . . 0.0 110.902 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -28.77 46.69 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.056 0.455 . . . . 0.0 110.16 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 35.1 mmt -74.88 -33.26 62.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.69 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.705 ' O ' ' HZ2' ' A' ' 6' ' ' TRP . 5.9 t80 -70.01 -54.66 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.557 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -52.62 -22.92 5.59 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 t -72.16 -21.68 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.475 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -103.48 129.57 50.67 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.498 ' O ' ' O ' ' A' ' 4' ' ' LYS . 2.4 p-10 -81.02 -3.83 53.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.6 t -152.56 -179.81 7.93 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.656 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HG3' HG22 ' A' ' 10' ' ' VAL . 1.3 ttp180 -74.32 -43.67 55.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -54.76 38.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.71 -28.97 67.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.42 ' CD1' ' HA ' ' A' ' 55' ' ' TYR . 13.9 t80 -70.74 -33.03 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.402 ' CE1' HD21 ' A' ' 18' ' ' LEU . 1.6 m-85 -77.66 -31.58 52.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.37 -51.42 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.89 -29.31 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.001 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -37.66 75.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.95 -43.08 96.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.67 -40.84 84.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -55.77 14.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 mt -64.02 -31.28 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -71.89 -53.39 13.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -45.66 91.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.3 mt -68.4 -30.06 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -43.06 91.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -77.3 -30.64 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.69 -28.8 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.89 -32.22 67.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.81 -31.56 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -70.34 -31.27 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.77 0.319 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.66 -35.75 66.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 80.9 p -78.09 -31.67 50.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -34.78 76.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 42.0 mt -75.79 -31.54 59.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 7.7 tp -75.35 -31.93 60.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -60.85 -33.32 72.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -60.69 -40.51 92.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -73.53 -31.84 63.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.31 67.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 20.5 ttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.2 mtmm . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 119.408 -0.329 . . . . 0.0 111.64 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 31.63 45.84 0.17 Allowed Glycine 0 C--N 1.348 1.25 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.738 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.28 -64.67 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.141 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.42 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 17.3 t-80 -80.67 -13.81 58.7 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -45.68 9.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.448 ' CD2' ' NH1' ' A' ' 61' ' ' ARG . 1.2 t60 -132.04 23.88 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.484 HG21 ' CE3' ' A' ' 6' ' ' TRP . 56.5 t -105.1 -52.26 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.42 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 3.8 p 54.47 168.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.401 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -37.72 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.08 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.54 -55.99 27.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.17 -31.2 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -65.08 -41.22 95.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -69.78 -31.08 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.94 -30.8 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.5 mt -79.55 -31.78 42.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.66 -32.43 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -61.48 -31.67 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -64.34 -45.46 87.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.765 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -39.63 84.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -72.64 -29.21 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -79.79 -27.18 40.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.05 -56.97 15.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.258 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.9 mt -65.55 -30.45 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CD2' ' OD2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -147.43 84.81 7.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.748 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -74.03 -45.55 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.56 2.173 . . . . 0.0 112.579 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.7 141.5 84.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.98 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.82 152.24 29.46 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.429 2.086 . . . . 0.0 112.279 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.408 ' OD2' ' CD2' ' A' ' 27' ' ' PHE . 12.8 p30 -158.64 75.58 3.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.77 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.45 -27.07 74.54 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.515 2.143 . . . . 0.0 112.058 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.75 -23.12 42.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.03 -36.63 72.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.52 -30.26 62.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.77 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -84.02 -23.68 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.776 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.02 143.34 52.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -30.41 63.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' HD3' ' CD2' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -67.62 -32.31 72.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.914 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -30.47 68.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.95 -31.21 64.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.71 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -79.95 -30.36 39.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.77 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.52 -42.95 88.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.39 -58.65 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -36.52 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -61.13 -52.36 65.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.712 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.03 70.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -69.94 -30.85 68.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -76.77 -39.2 52.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.49 -50.83 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -49.29 -44.42 44.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.933 0.397 . . . . 0.0 110.196 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.54 -30.35 76.29 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.299 -0.953 . . . . 0.0 110.883 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.42 -30.34 57.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.924 0.392 . . . . 0.0 110.215 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.6 mmt -67.07 -30.82 70.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.786 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.738 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 46.6 t80 -77.83 -22.48 49.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.194 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.35 -26.05 20.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.59 -45.34 45.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 0.0 111.209 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.616 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -73.19 126.91 31.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.605 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.48 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 5.6 m120 -89.72 3.64 52.14 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -160.14 156.74 27.22 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.46 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.448 ' NH1' ' CD2' ' A' ' 9' ' ' HIS . 8.2 ttp180 -56.51 -39.92 74.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -53.36 -54.81 31.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.993 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.94 -38.77 89.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -57.86 -37.96 74.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.769 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -77.74 -29.02 50.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -75.41 -53.25 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 pp -58.35 -30.48 66.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.987 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -46.97 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.86 89.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.89 -41.71 83.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -65.07 -55.77 16.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.748 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.4 mt -63.47 -31.28 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -72.22 -57.18 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -57.9 -47.74 81.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.7 mt -64.87 -30.31 49.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -66.45 -36.38 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -29.16 52.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -30.13 65.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -37.12 76.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.76 -31.67 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.27 -30.37 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.678 0.275 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 tp -55.62 -35.7 66.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.814 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -31.51 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.82 -38.24 82.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 33.1 mt -75.61 -31.82 60.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.27 -43.75 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.95 -29.87 68.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.426 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 5.5 t80 -58.61 -33.65 70.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.4 m -79.75 -31.69 41.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.27 -47.79 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HD3' ' HB3' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.32 0.105 . . . . 0.0 111.214 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.84 60.55 2.55 Favored Glycine 0 C--N 1.334 0.467 0 N-CA-C 107.401 -2.279 . . . . 0.0 107.401 175.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.727 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.27 -64.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -175.109 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.425 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 64.6 t-80 -76.41 -13.51 60.12 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.275 -177.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.7 -53.14 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.77 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -124.54 21.79 8.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.472 HG23 ' CE3' ' A' ' 6' ' ' TRP . 53.4 t -104.81 -53.64 6.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.425 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 1.3 p 52.93 164.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.696 178.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -74.89 -48.59 23.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.7 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.32 -56.28 21.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.812 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 10' ' ' VAL . 7.3 tt -62.58 -29.53 70.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.901 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -64.98 -31.07 72.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.662 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -34.63 73.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -64.38 -38.02 89.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.423 HD22 ' CE2' ' A' ' 64' ' ' TYR . 4.4 mp -71.01 -28.95 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.6 t -64.09 -27.36 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -72.2 -30.32 64.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -57.56 -43.74 84.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mt -60.56 -33.12 72.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.761 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -77.28 -28.84 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.124 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -31.99 67.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.26 -58.0 10.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.11 -39.59 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CZ ' ' CB ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -134.64 77.48 58.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.93 -47.56 0.57 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.55 2.167 . . . . 0.0 112.445 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.34 149.9 97.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.003 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.02 146.6 71.57 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.704 2.27 . . . . 0.0 112.278 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.438 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 7.3 t70 -167.57 90.21 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.791 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.49 -22.7 75.17 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.064 . . . . 0.0 112.141 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.52 -25.78 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.99 95.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 mt -57.95 -26.45 62.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.647 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.21 -22.79 20.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.16 137.08 57.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.873 0.368 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -44.35 96.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' HD3' ' CD2' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -55.99 -28.99 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.145 -179.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.0 tpp -59.41 -25.44 64.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.85 -29.63 63.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -79.89 -31.23 40.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -41.68 92.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 t -63.07 -58.75 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.8 69.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -62.29 -51.4 67.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.773 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.98 -32.22 73.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.039 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -62.44 -31.09 71.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -74.99 -43.31 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.36 -52.44 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -49.94 -43.65 50.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.937 0.398 . . . . 0.0 110.138 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.16 -30.92 79.08 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.0 -28.69 49.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 0.0 110.287 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 35.5 mmt -67.3 -32.49 73.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.801 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.727 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 45.1 t80 -77.63 -22.98 49.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.229 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.56 -32.67 16.2 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.196 -0.315 . . . . 0.0 111.553 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.25 -50.34 60.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.324 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.535 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -72.57 129.47 38.36 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.909 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.48 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 1.2 m-20 -96.38 4.83 51.95 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.5 t -152.14 161.4 42.69 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -59.97 -51.14 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -51.94 -50.19 61.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -61.33 -37.85 84.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.435 ' HB2' ' CH2' ' A' ' 6' ' ' TRP . 26.1 t80 -60.6 -42.89 97.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.704 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.412 ' CE2' HD11 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.73 -28.54 50.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.122 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.84 -57.09 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.367 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -53.63 -27.65 28.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.214 -179.659 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 67' ' ' LEU . 3.6 tt -72.6 -31.87 65.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.839 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.97 85.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -38.84 79.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -68.58 -55.8 10.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.769 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.5 mm -63.64 -31.67 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -66.42 -55.13 17.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.658 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -61.73 -44.64 96.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.1 mt -68.8 -31.08 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -59.68 -42.45 92.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -77.49 -28.14 52.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.82 -27.92 63.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tt -56.55 -31.36 64.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.066 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.56 -29.09 70.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -82.49 -26.84 32.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.77 0.319 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.62 -36.38 66.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 10.5 m -78.0 -31.24 50.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -66.41 -52.89 41.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.03 -36.4 77.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.27 -30.95 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.84 -31.83 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.426 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 8.5 t80 -59.66 -46.11 90.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -83.26 -37.25 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.08 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.6 ttp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.447 ' HD3' ' HB3' ' A' ' 59' ' ' ASN . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 120.359 0.123 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.89 64.77 1.9 Allowed Glycine 0 C--N 1.333 0.382 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 175.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.563 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.95 -65.22 1.04 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -174.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -61.67 -12.76 17.78 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.757 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -43.73 -50.64 7.59 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -177.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -134.39 36.17 3.19 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -114.98 -42.71 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 10' ' ' VAL . 2.4 p 48.61 175.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.848 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -75.01 -48.51 23.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.828 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.52 -56.46 5.34 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 10' ' ' VAL . 8.1 tt -53.63 -29.57 38.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.106 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -65.42 -31.83 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.717 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -31.72 71.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -61.3 -30.95 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.421 HD22 ' CE2' ' A' ' 64' ' ' TYR . 4.8 mp -78.87 -31.31 45.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.71 -34.61 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -62.33 -27.5 69.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -56.46 -44.53 80.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.5 mt -60.34 -41.41 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.709 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.19 -29.72 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -78.44 -26.84 46.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.07 -61.5 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.165 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -66.15 -30.76 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.41 82.84 13.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.45 -63.16 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.6 2.2 . . . . 0.0 112.346 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 p -66.97 149.31 98.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.75 146.68 48.96 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.538 2.159 . . . . 0.0 112.258 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -154.61 85.68 3.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.82 -18.73 50.67 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.601 2.201 . . . . 0.0 112.271 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.84 -28.01 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.733 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.08 -26.02 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.012 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.92 -35.96 67.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.981 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -83.37 -29.56 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.84 142.86 39.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -26.52 65.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' NH1' ' CG ' ' B' ' 101' ' ' PHE . 5.4 tmm_? -53.99 -48.05 70.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -29.32 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.76 -42.44 75.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.599 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -79.96 -32.33 39.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.78 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -44.77 95.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.6 t -60.1 -59.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.04 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -70.25 -53.99 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.86 -28.24 69.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -71.31 -35.7 71.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -80.8 -38.06 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.55 -44.87 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.407 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -49.05 -43.16 40.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.902 0.382 . . . . 0.0 110.361 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.98 -32.29 83.72 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.38 -0.914 . . . . 0.0 110.912 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -78.52 -28.16 46.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.009 0.433 . . . . 0.0 110.322 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.5 mmt -71.82 -46.18 59.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.563 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -60.33 -54.41 46.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.04 -40.62 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.89 -28.67 2.77 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.962 0.41 . . . . 0.0 111.272 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.517 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -92.91 133.75 35.79 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.696 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.447 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 1.6 m120 -95.44 0.08 52.94 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 m -150.03 175.91 11.27 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.661 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -50.38 19.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.2 -45.96 75.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.68 -40.98 94.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CE2' HD22 ' A' ' 18' ' ' LEU . 9.8 t80 -59.74 -32.63 70.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.98 -55.48 6.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -65.82 -44.91 84.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.72 -55.33 34.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 64' ' ' TYR . 5.6 tt -57.09 -28.57 62.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.25 68.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.154 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.26 -43.57 83.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -61.8 -55.86 25.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.687 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.0 mt -60.8 -32.12 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.792 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -75.13 -43.36 53.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.811 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -72.18 -45.86 58.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 mt -64.97 -31.78 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.94 -47.28 86.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -70.07 -29.37 66.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.985 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.47 -24.98 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.65 -27.58 50.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -33.21 75.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -62.85 -27.1 69.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.075 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.72 0.295 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 63.7 tp -55.06 -31.62 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.08 -31.36 50.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.8 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -65.22 -34.23 77.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 24.0 mt -69.96 -30.84 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.76 -34.01 69.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.65 -32.04 64.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.427 ' CG ' ' NH1' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -59.91 -57.46 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -30.68 68.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.46 -30.45 66.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 1.6 ttm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' CD1' ' A' ' 6' ' ' TRP . 0.9 OUTLIER . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 111.429 0.159 . . . . 0.0 111.429 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.21 64.64 2.03 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 106.966 -2.454 . . . . 0.0 106.966 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.681 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.62 -64.53 1.14 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -174.67 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.416 ' CE1' ' OH ' ' A' ' 55' ' ' TYR . 2.1 m-70 -63.28 -13.01 33.58 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.778 -1.101 . . . . 0.0 113.664 -176.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -43.78 -49.66 8.01 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.99 39.26 3.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 3.9 t -103.19 -62.89 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.97 0.414 . . . . 0.0 109.946 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p 56.26 168.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.124 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -74.42 -38.25 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.5 -56.04 24.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -37.72 79.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -50.12 73.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -64.55 -29.51 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.015 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -73.59 -30.59 63.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' A' ' 64' ' ' TYR . 17.5 mt -81.42 -33.11 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.056 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.2 t -59.08 -29.29 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -71.86 -30.05 65.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -59.15 -46.71 87.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.3 mp -60.11 -32.28 70.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.67 -30.79 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -25.12 54.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.74 -61.2 2.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.288 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.78 -32.12 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.213 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -143.42 84.96 9.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.73 -46.56 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.561 2.174 . . . . 0.0 112.402 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.97 149.8 87.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.62 147.12 93.02 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.626 2.218 . . . . 0.0 112.262 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -153.83 78.47 5.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.48 -21.25 53.16 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.629 2.219 . . . . 0.0 112.204 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.18 -23.38 43.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.03 -28.66 66.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.181 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.88 -36.03 71.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -82.45 -25.68 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.05 140.58 54.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.13 -25.57 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' NH2' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -56.39 -39.54 73.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.998 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 50.7 tpp -57.98 -29.12 64.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.79 -30.49 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.832 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -79.93 -29.9 39.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.402 ' CD1' ' NH2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -57.83 -48.15 80.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.3 t -59.68 -59.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.047 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.48 80.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -61.25 -55.37 32.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.739 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.53 72.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -33.53 75.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -71.94 -43.91 64.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.86 -55.09 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -44.13 54.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.399 . . . . 0.0 109.97 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.32 -31.18 78.38 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.25 -29.08 62.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.916 0.389 . . . . 0.0 110.071 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -34.26 77.29 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.692 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.681 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 37.5 t80 -76.26 -23.24 54.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.8 -35.04 15.06 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.923 0.392 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 p -67.59 -52.46 38.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.682 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.513 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -66.76 127.12 31.26 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.271 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.473 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 1.5 m-20 -94.12 4.9 53.25 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.3 p -153.49 165.23 36.49 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.447 ' NH1' ' CD1' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -65.71 -44.1 87.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -57.36 -53.39 58.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.681 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.14 -38.35 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.429 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.42 ' CE2' HD12 ' A' ' 18' ' ' LEU . 31.2 t80 -60.84 -39.16 88.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.613 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.447 ' CD1' ' NH1' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -77.89 -32.02 51.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.221 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -80.82 -57.12 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.412 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -27.86 65.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.044 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.35 -31.3 67.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.809 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.91 -35.32 72.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.42 -41.21 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -55.73 18.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.628 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.1 mt -62.67 -31.05 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.791 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -75.2 -51.84 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.718 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.97 -42.98 95.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.2 mt -71.05 -29.88 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -49.13 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -77.53 -29.9 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -60.07 -29.71 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.989 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.66 -30.65 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.73 -31.65 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -68.31 -30.87 69.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.708 0.29 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.7 tp -55.5 -37.81 68.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.783 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 4.9 m -77.99 -30.95 50.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -75.45 -31.64 60.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 mp -79.94 -42.08 24.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.25 -34.01 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -51.66 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.14 -37.49 80.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -69.07 -39.12 79.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.04 63.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HD3' ' HB3' ' A' ' 59' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.278 0.085 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.8 63.67 1.94 Allowed Glycine 0 C--N 1.334 0.427 0 N-CA-C 107.171 -2.372 . . . . 0.0 107.171 175.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.53 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.81 -64.96 1.07 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -174.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -62.42 -13.15 26.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.47 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -51.39 8.57 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -177.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.428 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -133.12 40.21 3.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -111.21 -51.59 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 177.496 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p 51.62 176.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.33 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -74.63 -44.37 50.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -58.72 -56.22 24.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.623 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -42.08 97.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.019 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 t -78.28 -34.41 48.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -47.36 86.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 64' ' ' TYR . 1.4 mt -60.55 -35.05 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.65 -29.86 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -73.11 -28.52 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -57.72 -44.64 86.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.66 -32.36 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.7 t -73.0 -29.46 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.17 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -79.63 -30.36 41.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.26 -47.37 81.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.401 ' CD1' ' CD2' ' A' ' 43' ' ' LEU . 30.5 mt -74.01 -44.61 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.05 77.29 76.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.3 -62.46 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.606 2.204 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 79.8 p -68.91 154.76 94.59 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.38 154.7 45.84 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.71 92.03 1.41 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.69 -25.65 75.14 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.408 2.072 . . . . 0.0 112.176 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.75 -25.77 40.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.998 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.23 60.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.82 -31.04 68.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.71 -24.61 25.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.73 148.54 33.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -27.43 69.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' CD ' ' CD2' ' B' ' 98' ' ' LEU . 2.2 tmm_? -56.1 -46.24 79.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.013 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.45 -29.09 48.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -56.82 -39.1 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -79.88 -29.85 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.864 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' CD2' ' CD1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -58.17 -49.48 76.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.59 -59.15 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.1 82.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.64 -52.95 62.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.57 -28.2 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -66.29 -36.48 83.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -80.72 -35.64 33.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.995 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.5 t -75.52 -46.59 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.202 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -49.55 -46.31 48.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.288 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.02 -31.25 80.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.419 -0.896 . . . . 0.0 110.987 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -78.41 -28.81 46.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.95 0.405 . . . . 0.0 110.32 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.9 mmt -68.75 -41.12 79.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.53 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -64.65 -54.29 34.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.22 -40.47 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.28 -29.2 2.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.923 0.392 . . . . 0.0 111.354 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -92.95 133.82 35.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.634 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.442 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 3.3 m-20 -95.6 0.33 52.73 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 176.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -151.16 173.89 13.88 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HG2' ' HB3' ' A' ' 9' ' ' HIS . 4.6 tpt180 -70.34 -55.94 7.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.788 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -50.05 -49.77 50.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.248 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -58.98 -40.78 85.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 55' ' ' TYR . 9.7 t80 -58.66 -30.91 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.408 ' CD1' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.77 -55.55 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.943 -179.829 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -65.75 -30.84 71.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -74.68 -53.32 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 64' ' ' TYR . 7.4 tt -57.67 -29.76 64.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.3 -30.44 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.06 -40.4 80.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -55.85 16.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.7 mt -61.23 -32.33 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.805 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -75.07 -37.72 61.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.718 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -77.15 -46.34 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.8 mt -62.19 -44.17 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -60.23 -31.47 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.83 -31.48 68.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -67.99 -30.82 70.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.49 -30.69 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.18 -31.51 72.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.14 -42.36 62.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 mttm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 pp -55.23 -31.81 61.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.82 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.99 -33.08 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.3 -32.1 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.401 ' CD2' ' CD ' ' A' ' 39' ' ' ARG . 1.2 mt -67.57 -29.62 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.48 -31.38 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -61.39 -53.69 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.59 -30.16 66.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -77.06 -37.2 55.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.99 -32.37 34.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.571 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.1 mtmm . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 119.432 -0.318 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 30.31 47.37 0.13 Allowed Glycine 0 C--N 1.347 1.17 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.583 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.34 -64.42 1.19 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -175.202 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.95 -12.24 60.88 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -53.32 5.75 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.93 33.57 2.4 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -178.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 6' ' ' TRP . 9.7 t -100.46 -62.57 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.859 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p 55.55 168.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.148 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -74.47 -37.99 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.146 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.23 -56.18 18.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.218 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -35.05 76.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.83 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -70.55 -36.32 73.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 p -59.72 -32.69 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -72.98 -34.19 66.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.422 HD23 ' CE2' ' A' ' 64' ' ' TYR . 4.0 mp -76.88 -31.27 56.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.5 t -61.64 -32.9 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -28.36 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -57.63 -45.5 85.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.99 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -60.18 -32.02 70.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.24 -30.46 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -80.74 -35.24 33.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.86 86.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.432 HG21 HD12 ' A' ' 26' ' ' ILE . 30.8 mt -74.5 -47.8 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.409 ' CE2' ' OD2' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -128.69 71.88 81.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.93 -62.42 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.599 2.2 . . . . 0.0 112.391 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.1 p -59.69 154.35 46.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.95 153.35 68.15 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.634 2.222 . . . . 0.0 112.313 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' CE2' ' A' ' 27' ' ' PHE . 9.5 p30 -153.57 85.43 4.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.59 -27.12 84.28 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.462 2.108 . . . . 0.0 112.07 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.66 -24.97 41.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.91 89.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.41 -29.01 61.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -89.09 -24.89 22.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.42 138.19 57.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -73.16 -30.87 63.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.429 ' HD3' ' CD2' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -60.84 -35.27 76.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 tpp -60.52 -28.6 68.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.65 -31.43 64.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -79.89 -30.53 40.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.45 -42.41 87.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.67 -59.1 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.55 73.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -60.53 -46.89 88.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.21 63.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -69.95 -32.97 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.088 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -80.77 -39.16 27.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.9 t -75.49 -44.64 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.378 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -49.35 -43.6 43.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.84 0.353 . . . . 0.0 110.227 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.74 -32.52 84.45 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.47 -30.03 47.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.99 0.424 . . . . 0.0 110.14 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.1 mmt -74.58 -31.61 62.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.779 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 2.1 t80 -72.48 -54.68 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.613 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.27 -24.62 63.4 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.3 -23.23 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.654 0.264 . . . . 0.0 111.65 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' CE2' ' A' ' 6' ' ' TRP . . . -97.33 127.17 43.06 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.518 ' O ' ' O ' ' A' ' 4' ' ' LYS . 3.3 p-10 -81.88 -4.11 55.74 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 9.0 m -145.45 176.49 9.55 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.449 ' HG2' ' CG2' ' A' ' 10' ' ' VAL . 4.8 tmm_? -74.29 -54.61 7.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.998 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.18 -43.1 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.124 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.06 -38.81 77.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.457 ' CE1' ' HA ' ' A' ' 55' ' ' TYR . 22.4 t80 -63.41 -30.45 71.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.753 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -49.05 24.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -74.42 -32.45 62.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -70.51 -53.32 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.416 HD11 ' CE1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -57.49 -35.83 70.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.026 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -30.25 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.21 -46.42 90.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.447 ' O ' HG12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -62.35 -56.6 16.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.907 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 4.2 mt -58.91 -28.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.158 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.61 -44.55 42.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.797 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -40.09 31.81 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -178.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -74.53 -29.58 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.051 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 7.0 mt-30 -59.88 -57.97 10.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.393 . . . . 0.0 110.722 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -59.91 -28.85 67.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.14 -29.55 65.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.002 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -38.71 78.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.35 -40.42 95.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.49 -31.12 69.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.768 0.318 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 8.6 tt -55.4 -36.68 66.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.9 p -78.05 -31.26 50.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -69.63 -32.16 70.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 82.6 mt -71.2 -37.48 72.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.9 mp -78.65 -39.88 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.79 -30.84 69.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.429 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 11.6 t80 -59.04 -53.25 60.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -62.33 -32.32 73.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.04 -31.69 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 26.3 mmm . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 m -123.49 179.42 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.337 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -171.78 159.11 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -54.29 159.37 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.79 64.1 1.9 Allowed Glycine 0 C--N 1.334 0.457 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 175.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.521 ' CZ3' ' CZ ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.59 -64.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -174.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.413 ' HA ' HG22 ' A' ' 10' ' ' VAL . 7.7 t-80 -62.13 -13.01 22.74 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.097 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 1.1 pp20? -44.02 -53.2 6.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -130.09 26.94 5.16 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -96.02 -42.46 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 10' ' ' VAL . 10.4 m 51.71 166.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.834 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -74.55 -52.52 11.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -53.7 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.305 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.05 -29.79 32.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.229 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -71.64 -35.11 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.788 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 m -62.27 -31.43 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -64.77 -35.49 81.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD21 ' CE2' ' A' ' 64' ' ' TYR . 10.6 mp -73.38 -34.25 65.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.6 t -59.79 -38.88 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.057 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -61.08 -36.24 79.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -59.84 -33.01 71.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.74 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -36.89 74.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.709 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.2 t -77.36 -30.96 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -65.87 -30.36 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.72 83.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.466 HG21 HD12 ' A' ' 26' ' ' ILE . 31.1 mt -73.52 -31.15 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.7 82.38 10.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.27 -46.45 1.42 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.59 2.194 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.56 148.82 85.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.94 146.43 52.85 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.647 2.231 . . . . 0.0 112.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.26 91.15 3.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.49 -25.66 75.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.367 2.044 . . . . 0.0 112.151 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.71 -26.54 40.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.063 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -33.56 76.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.21 -31.45 67.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -85.3 -24.29 27.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.17 136.57 57.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.59 -29.02 70.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -41.09 85.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -30.03 64.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.21 -35.16 69.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.749 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -79.9 -29.93 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -48.41 80.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 t -62.08 -58.87 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.41 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -60.9 -54.16 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.75 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -68.39 -31.31 70.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -80.78 -41.76 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.3 t -75.47 -43.65 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.207 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.28 -42.47 52.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 110.078 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.07 -31.97 82.62 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -78.48 -29.34 46.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.008 0.433 . . . . 0.0 110.13 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -41.11 43.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.521 ' CZ ' ' CZ3' ' A' ' 6' ' ' TRP . 7.5 t80 -62.82 -54.24 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.772 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.83 -39.3 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.5 t -47.61 -28.62 2.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.893 0.378 . . . . 0.0 111.332 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.512 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -93.55 134.46 35.81 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.714 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 8.1 p-10 -96.27 0.08 50.42 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 176.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.0 154.66 34.14 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -28.35 63.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.084 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -54.66 20.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -59.68 -31.49 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CD1' ' HA ' ' A' ' 55' ' ' TYR . 13.4 t80 -67.81 -30.73 70.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -28.23 50.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -78.33 -53.86 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.029 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.09 -30.57 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.134 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -38.73 92.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.91 92.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -58.77 -46.99 86.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -55.8 29.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.2 mt -63.73 -31.42 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -68.43 -56.88 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.749 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -57.39 -44.26 84.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.6 mt -68.88 -32.65 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -48.43 81.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -77.14 -29.98 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.87 -30.2 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 mt -59.14 -31.28 68.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -41.85 91.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.99 -31.64 71.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -67.63 -31.33 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -38.58 82.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -80.04 -3.37 48.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.1 t -64.96 -10.1 26.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.692 0.282 . . . . 0.0 110.341 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.98 -13.78 0.72 Allowed 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.298 0.571 . . . . 0.0 112.062 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 C--N 1.31 -1.143 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.916 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 95.9 p -131.92 178.61 6.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.49 -141.9 3.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.542 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 43.4 p -78.12 140.88 39.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -99.08 122.51 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -98.74 -49.89 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.68 -28.4 69.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 29.2 tp -55.92 -35.36 66.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.796 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.8 m -78.07 -31.32 50.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.791 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.25 -31.2 60.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 42.1 mt -68.0 -45.1 75.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.5 mp -68.65 -33.54 74.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.34 -32.48 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -64.06 -48.91 74.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -74.94 -31.64 61.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.52 -32.1 72.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -68.18 -50.91 51.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -94.41 -178.17 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.848 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 m -148.86 174.22 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -147.76 144.09 28.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.461 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -53.04 162.48 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.328 179.709 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.13 61.25 2.65 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 107.215 -2.354 . . . . 0.0 107.215 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.747 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.52 -64.11 1.25 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -175.038 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.409 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 3.2 t-80 -74.74 -13.72 60.64 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.468 -177.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.94 -53.32 7.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -120.56 22.24 11.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG21 ' CE3' ' A' ' 6' ' ' TRP . 98.3 t -107.21 -52.94 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.409 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 2.9 p 53.33 170.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.542 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -74.62 -46.6 37.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.238 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.15 -56.18 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.375 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -30.48 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.998 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.2 ttt-85 -64.69 -45.79 85.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -30.94 69.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -31.14 67.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.422 HD13 ' CE2' ' A' ' 64' ' ' TYR . 8.1 mt -79.42 -31.53 42.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.89 -30.39 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.034 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -73.24 -29.2 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -43.19 89.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.806 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.2 mt -62.4 -31.74 72.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.4 t -73.87 -28.8 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.043 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -73.37 -28.82 62.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.85 -66.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.192 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.6 mp -62.28 -31.76 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -139.0 83.07 18.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.67 -63.79 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.3 p -59.96 141.39 89.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -77.61 167.27 24.43 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.64 2.227 . . . . 0.0 112.3 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -177.64 110.93 0.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.779 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.55 -27.03 46.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.428 2.085 . . . . 0.0 112.202 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.57 -29.18 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.96 -30.04 67.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.51 -33.75 70.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -84.56 -24.24 29.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.31 157.31 11.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.17 -31.55 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -57.78 -51.81 68.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 tpt -57.96 -30.32 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -57.22 -39.25 75.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.65 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -79.94 -29.07 39.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.91 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -43.43 90.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.15 -59.64 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.83 -41.09 81.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -60.44 -46.96 88.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.21 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.234 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -68.03 -35.37 78.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -76.2 -36.82 58.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.1 t -75.49 -51.49 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.216 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -49.34 -46.97 47.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.917 0.389 . . . . 0.0 110.289 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.5 77.53 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.452 -0.88 . . . . 0.0 110.961 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.34 -28.99 47.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.948 0.404 . . . . 0.0 110.309 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -66.92 -45.69 77.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.747 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 43.8 t80 -60.81 -22.68 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.198 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.65 -30.68 17.0 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.133 -0.355 . . . . 0.0 111.694 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.3 t -67.36 -48.65 66.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.981 0.419 . . . . 0.0 110.561 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.524 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -75.32 131.08 40.04 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.117 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 1.3 p-10 -99.4 6.48 46.04 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 176.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.83 170.98 17.51 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.339 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HG2' ' CG2' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -69.0 -60.36 2.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.8 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.27 -45.73 45.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.19 -49.5 77.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.274 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CE2' HD13 ' A' ' 18' ' ' LEU . 25.4 t80 -48.99 -42.98 39.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.773 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.421 ' CE1' HD23 ' A' ' 18' ' ' LEU . 1.1 m-85 -77.94 -25.65 48.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.176 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -74.41 -57.34 4.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.845 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -32.99 73.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.727 0.298 . . . . 0.0 111.097 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.34 -31.46 69.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.806 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.74 -35.68 51.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -57.17 -45.39 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -60.02 -54.03 50.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.55 -31.38 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -70.29 -44.66 67.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.793 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -45.39 64.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.4 mt -66.45 -32.82 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -64.27 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -29.48 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.47 -24.76 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.7 tp -55.49 -39.14 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.271 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -31.06 68.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.961 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.45 -31.28 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -77.28 -28.7 53.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -75.45 -32.36 60.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.32 -3.36 59.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.433 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.7 p -64.16 -11.35 29.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -140.72 -14.11 0.95 Allowed 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.36 0.6 . . . . 0.0 111.926 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.312 -1.053 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.28 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -106.16 -39.61 5.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.61 158.91 7.81 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.87 -66.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.95 163.66 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -140.38 -48.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.62 -28.87 63.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.51 -36.24 66.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -31.54 50.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.812 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.12 -44.64 72.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.76 -44.48 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tp -59.55 -31.11 69.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -61.47 -42.43 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.59 -30.99 69.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -80.42 -43.52 20.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.22 -30.15 70.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 7.5 ttp -58.85 -49.43 77.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -106.72 179.61 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.944 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.5 m -140.54 174.13 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -152.05 143.51 23.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -50.71 160.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.334 179.705 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.5 62.63 2.29 Favored Glycine 0 C--N 1.334 0.466 0 N-CA-C 107.253 -2.339 . . . . 0.0 107.253 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.72 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.4 -64.16 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -174.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.425 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 20.5 t60 -77.42 -14.35 59.72 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.654 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -47.6 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 9' ' ' HIS . 8.9 t60 -125.9 22.47 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG22 ' CE3' ' A' ' 6' ' ' TRP . 74.7 t -106.52 -51.42 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.425 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 3.2 p 53.1 170.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.502 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -74.62 -40.33 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.213 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.91 -56.13 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.446 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -31.05 67.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.938 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -64.6 -47.39 78.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -30.59 68.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -71.86 -30.77 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 11.8 mt -80.16 -30.45 38.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.8 t -62.2 -30.77 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -32.1 69.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -59.33 -43.9 92.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -32.15 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -74.81 -29.66 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -29.37 63.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.25 -58.2 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.488 HD11 HG21 ' A' ' 26' ' ' ILE . 33.1 mt -71.4 -31.02 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.413 ' CE2' ' CD1' ' B' ' 101' ' ' PHE . 0.1 OUTLIER -137.04 83.61 27.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.98 -46.25 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.575 2.183 . . . . 0.0 112.434 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.76 149.86 81.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.12 153.44 67.29 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.28 87.59 1.64 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.743 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.98 -26.91 83.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.496 2.131 . . . . 0.0 112.1 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.69 -24.9 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.048 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.18 71.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.21 -31.8 69.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.749 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.34 -25.15 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.28 137.68 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -31.24 71.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -36.86 78.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.3 tpt -58.33 -29.41 65.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -34.64 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.728 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -79.93 -30.82 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.808 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.67 -42.74 89.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 t -67.13 -58.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.95 -34.9 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -65.79 -51.02 62.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.23 -31.19 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -64.39 -30.84 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -37.91 57.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.66 -51.93 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.62 -49.12 48.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.892 0.377 . . . . 0.0 110.287 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.84 -29.36 72.11 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.047 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.33 -29.58 47.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.028 0.442 . . . . 0.0 110.227 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.3 mmt -64.44 -38.34 90.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.761 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.72 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 46.7 t80 -68.78 -22.83 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -90.52 -32.95 16.12 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.784 0.326 . . . . 0.0 111.654 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 t -67.54 -50.26 59.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.894 0.378 . . . . 0.0 110.459 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.527 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -72.16 128.94 37.25 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.868 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.475 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 13.1 p-10 -98.45 7.26 46.41 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.8 m -148.63 174.59 11.98 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.212 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HG2' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.27 -57.44 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.982 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.99 -37.22 52.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -68.69 -41.14 79.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.428 ' CE2' ' CD1' ' A' ' 18' ' ' LEU . 28.3 t80 -60.83 -39.32 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.759 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -30.39 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -80.87 -55.71 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.339 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -53.86 -27.67 31.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.217 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 67' ' ' LEU . 2.5 tt -75.93 -37.78 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -33.58 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.34 -37.88 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -68.41 -55.76 10.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.724 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 13.2 mt -64.73 -30.97 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -68.06 -57.84 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.753 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -45.66 88.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.3 mt -67.82 -30.64 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -61.21 -44.07 97.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -74.84 -30.85 61.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.51 -29.01 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.9 tp -57.47 -30.54 65.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -74.21 -31.19 62.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -31.62 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -68.08 -31.66 71.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -69.64 -44.92 69.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -3.33 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.39 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -9.13 31.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.754 0.312 . . . . 0.0 110.28 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -142.16 -13.79 0.81 Allowed 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.35 0.595 . . . . 0.0 112.047 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--N 1.31 -1.142 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.861 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.426 -0.269 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 59.7 p -171.72 120.23 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.64 166.32 9.65 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -164.7 143.96 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -132.63 101.62 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -31.79 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.08 -28.97 68.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.6 -36.58 67.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.817 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 28.0 m -78.16 -31.08 49.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.83 -38.25 87.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 6.9 mt -73.19 -31.08 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 tp -76.45 -37.57 56.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.71 -30.22 70.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.413 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 5.6 t80 -58.47 -54.91 41.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 93.7 p -77.26 -38.18 51.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.79 71.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 24.0 tpp -81.67 -39.14 24.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.58 -32.72 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 t 59.77 170.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -117.64 31.96 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.504 ' O ' ' C ' ' A' ' 5' ' ' GLY . 9.7 mtmm 61.79 4.81 1.17 Allowed 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 36.51 41.64 0.57 Allowed Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.679 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -74.87 -64.28 1.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -175.228 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.402 ' CE1' ' OH ' ' A' ' 55' ' ' TYR . 9.4 m80 -80.48 -13.82 58.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.409 ' HG2' ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.64 -48.06 10.5 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -178.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.84 21.38 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.482 HG23 ' CE3' ' A' ' 6' ' ' TRP . 71.6 t -109.51 -50.5 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p 48.67 -179.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.63 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -74.89 -52.51 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.608 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.26 -56.12 25.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.783 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -29.74 67.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.057 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -68.84 -51.62 38.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -59.5 -30.72 68.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -64.6 -30.75 71.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' CD1' ' CE2' ' A' ' 64' ' ' TYR . 11.9 mt -81.36 -29.25 34.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.9 t -58.44 -30.57 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.078 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -61.28 -28.55 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.85 -42.48 84.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.11 -34.55 76.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.764 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.9 t -74.07 -29.86 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.83 -28.29 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.96 -66.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 mp -62.9 -30.54 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.85 84.84 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.41 -46.21 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.613 2.209 . . . . 0.0 112.387 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 p -74.14 148.0 86.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.44 146.31 49.85 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.595 2.197 . . . . 0.0 112.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.13 92.05 3.32 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.58 -25.15 75.39 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.387 2.058 . . . . 0.0 112.18 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.23 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.16 75.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.62 -31.34 68.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.667 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -85.08 -24.25 28.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.31 146.56 47.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -73.14 -30.82 63.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -60.61 -37.38 81.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -30.22 61.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.81 -33.72 68.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.619 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -79.94 -30.75 39.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.776 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -44.93 90.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -60.29 -58.53 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.019 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.8 -39.84 71.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CZ ' HD21 ' B' ' 95' ' ' LEU . 31.8 t80 -62.75 -57.54 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.764 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.1 94.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -60.15 -30.98 69.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -44.28 54.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -68.05 -54.04 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -50.32 -46.67 55.67 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.21 -29.3 74.05 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.374 -0.917 . . . . 0.0 110.907 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -78.31 -29.79 47.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.007 0.432 . . . . 0.0 110.17 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.1 mmt -65.4 -33.04 75.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.679 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 43.0 t80 -74.79 -22.65 58.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.164 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.27 -22.57 21.54 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 122.194 -0.316 . . . . 0.0 111.828 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.1 t -81.67 -42.07 20.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.995 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.554 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -75.29 125.37 28.83 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.444 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.493 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.5 p-10 -88.38 2.54 52.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.31 162.44 37.73 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -59.62 -49.58 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.48 -48.68 47.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -64.81 -36.08 83.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.44 ' CE2' ' CD1' ' A' ' 18' ' ' LEU . 28.1 t80 -61.66 -39.37 91.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.781 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.418 ' CE1' HD22 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -77.71 -30.11 51.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -80.81 -57.11 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.62 -27.64 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 67' ' ' LEU . 5.3 tp -78.81 -41.45 30.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.16 90.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.094 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -58.8 -43.06 90.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -64.14 -55.74 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 32.2 mm -64.17 -29.21 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.69 -52.55 36.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.818 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -45.53 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.3 mt -63.26 -29.94 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.17 -54.74 43.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.72 -29.86 70.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -26.26 62.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.015 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.66 -52.67 61.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.029 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -30.76 46.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.2 -28.05 69.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -27.1 64.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.008 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -63.45 -42.73 98.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -3.24 59.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.465 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.1 m -62.04 -13.55 27.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -140.42 -13.54 1.01 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.317 0.579 . . . . 0.0 111.831 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.309 -1.154 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.903 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 t -135.67 -56.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.38 178.5 22.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.43 -69.11 0.16 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.702 0.287 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.5 82.16 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -131.45 -68.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.07 -26.47 68.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.42 HD21 ' CZ ' ' A' ' 46' ' ' TYR . 0.5 OUTLIER -55.13 -33.05 62.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.859 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 28.4 p -78.02 -35.44 49.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -78.72 -31.32 46.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 6.4 mt -78.4 -44.37 25.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.29 -38.55 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -66.11 -36.53 83.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.423 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 16.0 t80 -60.17 -34.34 73.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.4 t -86.19 -34.99 20.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.62 -31.47 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.1 mmm -63.14 -58.77 6.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -101.93 105.57 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.969 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 m -124.24 178.13 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.99 34.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.628 ' O ' ' O ' ' A' ' 59' ' ' ASN . 2.9 mtmm 62.18 5.62 1.56 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.339 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 32.03 45.91 0.2 Allowed Glycine 0 C--N 1.347 1.14 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.02 -64.31 1.22 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -175.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -74.25 -12.09 60.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.43 -53.39 5.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -177.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.442 ' HB3' ' HG3' ' A' ' 61' ' ' ARG . 48.4 t-80 -138.48 34.09 2.26 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.447 HG21 ' HG2' ' A' ' 61' ' ' ARG . 5.1 t -100.71 -62.29 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.806 177.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p 55.44 169.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.315 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -74.33 -36.13 63.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.63 -56.02 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.54 -37.07 85.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.45 -47.59 75.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 t -58.26 -30.79 66.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -73.45 -29.86 62.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.84 -30.33 32.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.1 t -57.57 -31.42 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -71.99 -29.24 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.823 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -57.84 -41.49 82.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.719 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -36.25 78.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.2 t -77.4 -30.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -73.33 -31.43 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.34 -47.12 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.6 mt -74.4 -38.59 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -132.43 73.02 77.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.42 -62.72 0.24 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.612 2.208 . . . . 0.0 112.343 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 p -59.91 148.12 77.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.32 146.45 50.79 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.518 2.145 . . . . 0.0 112.317 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.7 t70 -150.92 91.9 3.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.59 -25.88 75.66 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.413 2.075 . . . . 0.0 112.149 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.32 40.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.83 -33.4 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.96 -31.77 70.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.98 -25.34 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.08 142.56 51.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.8 -29.74 68.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HD3' ' CG ' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -58.84 -39.77 82.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.942 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 42.1 tpp -59.5 -29.11 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -56.68 -31.62 64.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.91 -32.99 40.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.812 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -43.15 98.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.9 t -60.3 -58.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.6 73.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -60.13 -56.83 16.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.785 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.04 -29.4 70.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -65.69 -39.0 90.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -80.83 -36.42 31.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.055 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' MET . 22.0 t -75.61 -46.0 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.391 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -48.47 -47.11 38.7 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.759 0.314 . . . . 0.0 110.377 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.25 -32.63 83.33 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.42 -0.895 . . . . 0.0 110.955 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.5 -28.11 46.28 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.027 0.441 . . . . 0.0 110.359 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -73.59 -35.45 65.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.827 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 4.2 t80 -67.52 -54.85 16.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.59 -30.49 65.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.834 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.52 -27.83 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.401 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.467 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -94.92 127.46 40.98 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.877 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.628 ' O ' ' O ' ' A' ' 4' ' ' LYS . 3.3 m-20 -77.83 -5.24 50.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 176.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 52.9 m -153.99 178.7 9.65 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.172 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HG2' HG21 ' A' ' 10' ' ' VAL . 1.1 tmm_? -67.19 -60.3 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.82 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -46.78 -48.56 20.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.58 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.88 -34.86 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.091 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.493 ' CE1' ' HA ' ' A' ' 55' ' ' TYR . 28.6 t80 -67.0 -29.68 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.062 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -43.27 31.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.144 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -79.36 -30.09 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.89 -54.7 8.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.58 -36.54 74.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.65 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.203 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -43.01 88.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -62.61 -55.84 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.721 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.3 mt -63.19 -31.58 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.715 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -73.18 -37.73 66.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.703 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -78.5 -45.31 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.8 mt -65.81 -32.99 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.11 -54.03 50.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -31.05 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.8 -31.56 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.12 -31.4 68.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.009 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.34 -31.28 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.81 -31.26 70.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -60.21 -31.6 70.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.95 -42.87 25.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -3.47 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.316 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -63.16 -12.61 28.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -139.15 -13.71 1.18 Allowed 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.369 0.604 . . . . 0.0 111.77 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.31 -1.133 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.943 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.0 t -89.22 106.55 18.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.63 57.13 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 3.3 p -143.61 179.24 7.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.31 131.7 39.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -105.82 -33.68 7.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.93 -28.94 49.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.54 -36.81 67.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.842 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 81.1 p -78.15 -31.19 49.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.756 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.39 -36.06 77.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -79.99 -31.26 39.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 9.0 tp -61.37 -48.38 81.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.03 -32.67 71.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.415 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 45.3 t80 -60.58 -42.4 96.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -72.38 -31.79 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.86 -38.44 57.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 12.5 mmt -63.96 -47.77 79.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -134.12 109.55 9.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.887 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.5 173.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.095 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -179.3 146.77 0.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.445 ' HD3' ' CB ' ' A' ' 59' ' ' ASN . 0.9 OUTLIER -50.44 163.04 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.253 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.29 63.88 2.12 Favored Glycine 0 C--N 1.334 0.422 0 N-CA-C 107.144 -2.382 . . . . 0.0 107.144 175.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.686 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.01 -64.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -174.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.422 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 11.1 t60 -69.22 -13.62 62.51 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.434 -177.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.91 -53.17 7.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 16.0 t60 -122.42 24.67 9.21 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 6' ' ' TRP . 97.1 t -108.82 -56.08 4.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.422 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 1.0 OUTLIER 46.34 -174.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.621 178.624 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.05 -47.45 28.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.454 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -56.33 20.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.813 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -65.8 -42.6 90.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.309 . . . . 0.0 110.972 -179.562 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -60.04 -50.98 71.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -58.32 -39.51 79.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -59.25 -28.89 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD23 ' CE2' ' A' ' 64' ' ' TYR . 3.6 mp -82.38 -29.75 30.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.64 -36.67 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -62.14 -31.28 71.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -60.09 -44.65 94.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -60.67 -38.02 83.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.5 t -65.79 -29.76 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -73.32 -29.96 63.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.16 -54.12 50.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.8 mt -74.27 -41.67 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 29' ' ' THR . 6.9 t80 -130.9 82.76 63.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.726 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.57 -62.6 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.707 2.272 . . . . 0.0 112.556 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.408 ' O ' ' CZ ' ' A' ' 27' ' ' PHE . 1.1 p -81.43 140.41 48.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -77.97 179.23 6.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.562 2.175 . . . . 0.0 112.321 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -178.01 130.32 0.3 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.33 -29.8 20.59 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.393 2.062 . . . . 0.0 112.23 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.77 -30.98 40.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.06 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.38 -30.45 64.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -88.18 -24.04 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.38 161.53 4.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -29.19 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.125 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -56.16 -47.11 78.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.028 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -32.18 67.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.34 -40.26 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.564 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -80.03 -30.02 39.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.741 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -43.79 94.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.2 t -61.94 -59.34 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.62 95.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CD1' HG21 ' A' ' 50' ' ' VAL . 31.2 t80 -59.79 -51.74 68.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.42 -28.33 69.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -69.14 -37.5 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.053 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -80.64 -36.1 33.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.039 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' A' ' 46' ' ' TYR . 23.5 t -75.43 -46.15 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.208 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -49.67 -46.15 49.51 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.53 -31.45 77.68 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.417 -0.897 . . . . 0.0 110.87 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.43 -29.3 46.97 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.992 0.425 . . . . 0.0 110.165 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.4 mmt -77.19 -50.18 13.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.686 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 24.6 t80 -61.93 -23.11 66.15 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.217 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.28 -27.26 20.68 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 t -54.38 -24.37 19.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.628 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -99.01 137.15 37.95 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.506 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.445 ' CB ' ' HD3' ' A' ' 4' ' ' LYS . 5.7 p-10 -102.87 2.72 35.7 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 m -145.32 176.88 9.23 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.614 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.448 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.37 -59.6 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.175 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.63 -29.69 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -68.71 -36.99 79.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' A' ' 55' ' ' TYR . 12.0 t80 -68.97 -38.37 79.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.993 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -29.77 65.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -80.88 -57.11 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 pp -59.18 -29.8 67.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' CD2' ' CD1' ' A' ' 72' ' ' ILE . 4.5 tt -69.07 -52.08 32.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.24 -38.39 73.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.73 -38.6 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -55.86 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.4 ' CD1' ' CD2' ' A' ' 68' ' ' LEU . 3.9 mt -63.98 -31.34 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -64.83 -42.89 94.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.708 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -76.63 -43.2 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.948 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.68 -33.82 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -61.03 -41.15 96.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -77.54 -29.56 52.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.7 -31.04 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.28 -31.31 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -70.52 -31.16 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -60.18 -34.01 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -68.73 -32.17 71.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.8 tpt85 -74.79 -41.92 59.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -3.32 47.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.316 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.9 p -64.12 -11.45 30.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.796 0.331 . . . . 0.0 110.161 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -140.78 -14.0 0.95 Allowed 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.29 0.567 . . . . 0.0 111.876 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.31 -1.151 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.9 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.6 t -173.95 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.07 -44.55 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.54 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.52 -69.06 0.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.737 0.303 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.4 136.76 25.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -124.01 31.7 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -79.21 -28.62 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.7 mt -55.67 -36.57 67.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.81 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 30.1 t -78.07 -31.13 50.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.01 -40.99 95.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 mp -76.08 -42.51 47.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 6.0 tp -58.94 -30.16 67.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -62.01 -46.81 87.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.82 -42.51 93.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 72.8 m -75.22 -39.85 59.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.52 -34.29 72.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -31.62 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -131.71 112.3 12.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.928 179.918 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 t -142.53 170.61 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.41 42.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.533 ' O ' ' C ' ' A' ' 5' ' ' GLY . 3.9 mtmm 61.46 4.62 1.01 Allowed 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.498 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 33.22 44.05 0.24 Allowed Glycine 0 C--N 1.347 1.142 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.62 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -80.25 -64.16 1.25 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -74.78 -12.1 60.32 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.29 -52.8 5.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -177.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.85 36.33 2.39 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 1.7 t -117.69 -52.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p 50.62 175.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.604 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -74.71 -41.51 60.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.266 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -57.69 -56.27 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.497 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -33.37 73.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.806 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -60.46 -32.24 71.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 -37.57 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.786 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -65.24 -37.31 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.416 HD22 ' CE2' ' A' ' 65' ' ' TYR . 8.3 mt -69.74 -31.98 70.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.796 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.3 t -63.72 -29.84 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.05 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -69.56 -32.08 70.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -59.44 -43.87 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.808 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -32.11 70.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.6 t -77.31 -31.04 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -72.73 -34.59 67.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.5 82.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.455 HG23 HD13 ' A' ' 26' ' ' ILE . 33.9 mt -71.54 -30.57 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.011 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.401 ' CE2' ' HA ' ' B' ' 102' ' ' SER . 0.3 OUTLIER -148.18 85.06 6.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.61 -46.04 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.562 2.175 . . . . 0.0 112.363 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.7 p -67.66 146.73 98.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.34 146.45 40.09 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.605 2.204 . . . . 0.0 112.284 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -151.25 89.87 4.16 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.753 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.73 -25.81 75.06 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.432 2.088 . . . . 0.0 112.165 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -24.45 41.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.72 -36.77 70.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.113 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.28 -31.68 65.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -87.04 -24.97 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.86 137.81 49.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -59.39 -27.56 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.06 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HG3' ' CD2' ' B' ' 101' ' ' PHE . 2.6 tmm_? -52.01 -51.19 58.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -26.47 60.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.3 -33.23 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -79.9 -31.12 40.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -52.36 65.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.5 -58.95 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.86 67.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -61.79 -47.88 83.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.742 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.23 63.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -35.69 80.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.109 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -80.85 -36.23 31.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.027 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.55 -46.0 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.88 -46.79 43.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.785 0.326 . . . . 0.0 110.237 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.8 -32.04 80.36 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.298 -0.953 . . . . 0.0 110.859 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.47 -27.01 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.007 0.432 . . . . 0.0 110.272 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 31.4 mmt -78.15 -39.23 41.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.62 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 4.9 t80 -68.4 -54.76 15.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.735 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -48.95 -36.28 17.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.3 t -51.81 -54.34 29.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 111.394 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.453 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -64.29 128.38 35.55 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.219 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.53 ' O ' ' O ' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -84.13 -1.99 56.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.522 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.43 -172.71 4.32 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.786 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.4 ' HG3' HG22 ' A' ' 10' ' ' VAL . 10.1 ttp85 -72.96 -55.43 6.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.7 -53.15 51.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.483 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.52 -25.31 16.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.245 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.414 ' CE1' ' HA ' ' A' ' 55' ' ' TYR . 10.6 t80 -79.03 -44.8 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.416 ' CE2' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -66.12 -27.18 67.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.34 -57.07 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.11 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.9 -30.54 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.101 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -36.25 83.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.65 99.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.96 -45.46 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.04 -55.87 21.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.2 mt -60.9 -30.77 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -75.16 -57.25 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -57.94 -48.2 80.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.9 mt -62.93 -29.92 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.176 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -66.32 -50.7 62.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -77.52 -31.13 53.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -61.28 -30.83 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.21 -31.1 68.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.23 -31.0 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.06 -32.52 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -39.64 92.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 ttt85 -60.04 -43.01 95.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -79.58 -3.42 46.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.427 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 t -65.0 -9.93 25.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 0.0 110.312 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -143.46 -13.68 0.68 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.331 0.586 . . . . 0.0 112.073 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.311 -1.105 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.91 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.1 m -168.46 132.6 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.65 102.0 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 1.8 p -156.86 -74.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -121.93 143.49 49.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.51 30.46 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -79.54 -28.69 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 8.6 tt -55.29 -33.0 62.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.829 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.6 m -78.16 -34.51 49.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.67 -31.01 46.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 12.0 tp -74.66 -34.84 62.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.28 -29.16 38.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.52 -48.81 78.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.415 ' CD2' ' HG3' ' A' ' 39' ' ' ARG . 22.3 t80 -59.57 -31.31 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.401 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 1.2 m -81.04 -31.5 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.43 -31.0 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.2 ttp -60.1 -31.42 70.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -97.93 36.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.711 -0.156 . . . . 0.0 112.711 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 t 65.1 170.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.966 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 60.97 163.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.454 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -50.83 159.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.501 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.82 64.5 1.89 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 107.153 -2.379 . . . . 0.0 107.153 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.547 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.7 -65.29 1.03 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 -174.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -62.45 -13.06 25.93 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.001 -0.999 . . . . 0.0 113.48 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.38 -52.59 7.58 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -177.659 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.401 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 69.6 t60 -133.94 37.39 3.24 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -112.98 -46.19 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.788 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p 47.55 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.711 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -52.58 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.579 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.66 -56.29 22.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.761 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.6 68.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 111.024 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -69.06 -52.18 31.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.705 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -60.44 -38.59 84.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -59.59 -31.42 69.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD22 ' CE1' ' A' ' 65' ' ' TYR . 5.9 mt -77.28 -33.16 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.782 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.3 t -59.74 -31.23 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.66 -28.94 69.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -57.77 -45.33 86.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -60.28 -32.12 70.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.763 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.8 t -73.57 -30.25 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -31.28 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 -38.14 75.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.063 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.4 mt -87.53 -32.02 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 29' ' ' THR . 9.9 t80 -141.48 78.68 18.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.767 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.8 -62.17 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.686 2.258 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.408 ' O ' ' CZ ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -69.24 136.36 89.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.71 175.5 11.29 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.496 2.13 . . . . 0.0 112.27 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -177.17 130.29 0.34 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 -27.17 24.46 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.482 2.121 . . . . 0.0 112.293 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.62 -29.58 41.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.27 -47.96 83.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.54 -27.82 58.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.74 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -93.26 -22.24 19.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 151.72 15.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.855 0.359 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -73.11 -29.69 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' NE ' ' CD2' ' B' ' 101' ' ' PHE . 2.6 ppt_? -62.09 -34.5 76.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.953 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.2 tpt -59.95 -29.48 68.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -56.74 -34.0 67.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -79.97 -31.19 39.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.62 -42.67 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.34 -59.38 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.35 76.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -67.37 -51.8 47.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.53 -30.98 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -64.61 -32.18 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -40.93 24.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.3 t -75.54 -44.77 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.88 -42.84 48.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.887 0.375 . . . . 0.0 110.269 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.76 81.53 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.446 -0.883 . . . . 0.0 110.917 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -78.51 -28.39 46.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.957 0.408 . . . . 0.0 110.245 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.9 mmt -70.42 -49.74 45.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.547 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 9.2 t80 -57.31 -54.11 50.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.13 -39.35 63.42 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.1 t -47.07 -29.05 1.96 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 111.394 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.523 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -93.03 134.98 34.62 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.621 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.43 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 8.5 p-10 -97.24 0.8 48.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m -148.42 -178.75 6.49 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.708 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -74.41 -55.76 5.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -55.86 -42.04 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -59.06 -31.3 68.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.418 ' CE2' HD12 ' A' ' 18' ' ' LEU . 9.4 t80 -76.02 -30.47 58.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.421 ' CE1' HD22 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -76.68 -28.8 56.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.983 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -80.9 -51.96 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 pp -57.77 -29.93 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.064 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.91 -53.08 23.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 72' ' ' ILE . . . -61.86 -22.46 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.83 -37.93 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 110.407 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.05 -41.74 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.405 HG23 ' O ' ' A' ' 69' ' ' ALA . 8.3 tt -58.68 -40.36 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 110.986 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.17 -32.18 61.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.68 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -70.18 -56.25 7.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.5 mt -63.35 -29.97 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.08 -31.22 68.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -75.83 -31.14 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -61.26 -31.48 71.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.83 -31.39 69.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.22 -31.6 72.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.06 -31.38 72.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -67.37 -49.98 61.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -61.33 -40.04 92.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -3.28 54.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.329 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.9 t -65.82 -9.66 30.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.761 0.315 . . . . 0.0 110.33 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -142.27 -13.84 0.79 Allowed 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.308 0.575 . . . . 0.0 112.008 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--N 1.31 -1.138 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.885 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 17.8 t -64.0 -41.64 97.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 104.99 130.27 6.73 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -111.16 -36.76 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.96 156.27 21.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -108.76 -31.45 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.05 -28.82 68.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.48 -35.53 65.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 36.5 m -78.05 -31.36 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.809 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.47 -43.04 77.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.71 -35.61 72.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 7.6 tp -69.74 -33.18 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.32 -36.15 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.456 ' CD2' ' NE ' ' A' ' 39' ' ' ARG . 83.0 t80 -63.85 -47.41 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 70.8 m -67.66 -37.62 82.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.67 -40.35 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 15.3 ttm -77.29 -60.04 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -101.64 106.46 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.868 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 m -121.72 179.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.79 0.329 . . . . 0.0 111.172 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.39 152.66 20.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -53.08 160.58 0.99 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.342 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.68 60.83 2.48 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 107.34 -2.304 . . . . 0.0 107.34 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.18 -64.34 1.2 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -175.071 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.415 ' CE1' ' OH ' ' A' ' 55' ' ' TYR . 39.6 m80 -74.65 -12.88 60.55 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.459 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.81 -53.1 6.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -177.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.401 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 4.9 m170 -123.72 19.55 9.44 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.458 HG22 ' CE3' ' A' ' 6' ' ' TRP . 87.5 t -103.1 -56.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' VAL . 1.3 p 53.71 164.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.546 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -74.87 -48.22 26.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.692 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.39 -56.27 22.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.812 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 10' ' ' VAL . 6.9 tt -63.19 -29.71 71.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.072 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -65.49 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.745 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -31.5 69.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -72.12 -31.64 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD23 ' CE1' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -78.72 -30.94 46.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.64 -29.57 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -72.22 -27.91 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -57.44 -46.21 83.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.73 -31.83 69.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.8 t -74.13 -29.71 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -70.82 -26.78 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.84 -64.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.166 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mt -63.13 -30.77 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.69 85.04 17.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.51 -46.23 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.58 2.186 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.19 148.4 86.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.18 146.54 51.79 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.548 2.165 . . . . 0.0 112.322 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -152.88 89.83 3.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -62.07 -26.21 78.07 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.471 2.114 . . . . 0.0 112.135 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.59 -26.06 41.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.059 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.12 77.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.08 -31.4 67.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.744 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -85.43 -24.11 27.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.83 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.67 145.22 55.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -30.0 66.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -38.94 81.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -30.03 64.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -57.3 -32.84 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.803 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -79.95 -30.98 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.759 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -47.04 87.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.3 t -59.79 -58.98 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.27 67.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -69.12 -56.47 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.34 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -60.62 -30.83 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -42.22 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.6 t -70.8 -53.35 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.91 -46.72 52.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.858 0.361 . . . . 0.0 110.122 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.9 -29.73 73.25 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.34 -0.933 . . . . 0.0 110.915 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.2 -29.42 57.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.035 0.445 . . . . 0.0 110.098 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -31.65 72.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.693 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.644 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 27.6 t80 -78.4 -23.24 46.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.036 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.45 -25.43 20.34 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.74 0.305 . . . . 0.0 111.409 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -78.7 -34.96 45.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.011 0.434 . . . . 0.0 110.154 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.529 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -86.6 128.31 34.98 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.799 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.442 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.4 p-10 -97.61 4.91 50.07 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -152.28 157.2 41.05 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.732 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HD3' ' CB ' ' A' ' 9' ' ' HIS . 5.1 ttt85 -58.13 -50.83 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.785 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -50.06 -48.9 52.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.06 -36.86 85.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.558 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.414 ' HB2' ' CH2' ' A' ' 6' ' ' TRP . 28.0 t80 -61.24 -41.15 96.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.829 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.418 ' CE1' HD23 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.69 -29.29 51.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.038 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 39.4 m170 -80.67 -57.08 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.24 -27.75 62.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.049 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.434 ' N ' ' CD2' ' A' ' 67' ' ' LEU . 10.1 tt -74.12 -31.0 62.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.59 78.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -40.73 84.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -55.8 15.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.765 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 72' ' ' ILE . 47.5 mt -64.21 -31.73 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -72.3 -48.58 41.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.783 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -63.18 -45.26 92.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.5 mt -67.64 -34.32 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -35.72 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -31.65 63.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.85 -30.89 71.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -31.68 70.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -62.62 -33.02 74.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.04 -31.62 72.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -72.18 -30.66 65.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -65.43 -30.27 71.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -86.2 -3.37 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.41 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.5 p -63.58 -11.07 21.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.752 0.31 . . . . 0.0 110.332 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -143.3 -14.03 0.69 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.314 0.578 . . . . 0.0 112.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--N 1.309 -1.165 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.884 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.53 80.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.342 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -135.52 -80.76 0.12 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.544 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -169.01 149.21 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -129.35 88.06 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -110.15 -31.14 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -59.66 -29.6 68.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.81 -36.61 67.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -31.33 50.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.8 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -44.44 69.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.79 -36.88 80.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.2 tp -80.27 -32.7 38.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -60.72 -45.07 95.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -60.13 -34.71 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.9 m -76.31 -31.53 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.63 -30.69 68.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -31.77 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -130.71 99.12 4.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.889 -179.935 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 t -121.08 170.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.66 37.46 2.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.4 mtmm 61.64 6.92 1.69 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.724 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 32.25 45.23 0.19 Allowed Glycine 0 C--N 1.347 1.165 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.706 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.27 -64.18 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -175.261 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 62.5 t-80 -75.48 -13.33 60.37 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -52.67 7.94 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.431 ' CE1' HD23 ' A' ' 14' ' ' LEU . 7.7 t60 -127.37 38.49 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.499 HG23 ' CE3' ' A' ' 6' ' ' TRP . 47.8 t -121.12 -56.74 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.419 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 0.8 OUTLIER 44.44 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.935 178.26 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -75.16 -47.63 27.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.516 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.88 -56.37 23.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.965 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 HD23 ' CE1' ' A' ' 9' ' ' HIS . 0.3 OUTLIER -62.26 -29.74 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.972 -179.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -69.65 -53.43 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.706 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -56.53 -37.73 70.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -62.13 -29.81 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.781 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' A' ' 65' ' ' TYR . 9.6 mt -80.99 -29.91 35.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 56.8 t -56.06 -40.91 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -60.59 -48.6 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.621 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -59.4 -32.96 70.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.5 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.2 tp -68.15 -34.34 76.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.423 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 44.3 t -77.32 -29.01 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.93 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -25.58 66.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.4 66.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.61 -31.39 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -134.78 76.22 60.38 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.757 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.12 -63.24 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.665 2.243 . . . . 0.0 112.598 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 p -69.53 153.24 95.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.994 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.63 160.83 41.39 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.655 2.236 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 3.9 t70 -163.52 88.52 1.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.37 -25.82 80.64 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.428 2.086 . . . . 0.0 112.182 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.65 -24.42 41.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.013 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.98 81.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.42 -30.78 63.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -85.48 -24.78 27.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.858 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.66 133.81 52.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -60.24 -29.38 68.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -38.52 77.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -29.84 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.23 -35.53 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.74 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -79.89 -30.33 40.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.856 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.04 -45.85 89.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 t -59.25 -57.81 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.48 -33.02 52.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CZ ' ' CD2' ' B' ' 95' ' ' LEU . 55.5 t80 -67.41 -54.27 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.688 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.43 -30.16 70.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -69.13 -32.94 72.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -75.07 -39.57 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 t -74.32 -51.25 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -50.19 -43.63 52.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.888 0.375 . . . . 0.0 110.0 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.21 -31.91 82.35 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.77 -31.86 57.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.111 0.481 . . . . 0.0 110.013 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.3 mmt -70.99 -31.74 68.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.507 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.706 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 41.0 t80 -73.14 -22.54 60.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.987 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -90.32 -21.93 21.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.26 -42.41 25.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.87 0.367 . . . . 0.0 111.055 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.621 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -75.62 126.05 30.24 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.566 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.475 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 12.7 m120 -91.82 5.65 49.08 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -161.94 164.33 28.52 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.744 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' NH2' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.73 -53.78 53.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.926 0.393 . . . . 0.0 110.772 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -46.45 -52.42 13.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.451 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -45.75 84.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -58.84 -35.12 72.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.417 ' CE1' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.77 -29.89 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.269 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -80.87 -57.18 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.48 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.1 pp -59.85 -31.64 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.271 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.61 -32.93 74.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.75 -27.68 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.324 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -53.89 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.228 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -44.13 89.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.151 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 mt -66.66 -32.41 57.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.731 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -70.65 -50.05 40.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.641 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.88 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.0 mt -66.97 -29.84 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.111 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -58.34 -31.17 67.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -77.37 -30.95 54.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.38 -29.92 69.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.75 -34.29 69.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.75 -31.32 70.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.9 -31.23 70.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -65.35 -37.95 88.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -42.19 98.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.27 -3.34 58.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.428 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.7 m -64.63 -10.19 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.682 0.277 . . . . 0.0 110.322 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -143.77 -13.73 0.65 Allowed 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.343 0.592 . . . . 0.0 112.076 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--N 1.31 -1.13 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.832 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.4 p -132.91 141.08 48.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 104.8 73.13 0.9 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -75.69 -57.56 3.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -107.59 151.27 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -119.41 31.47 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -79.48 -28.72 41.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.445 ' CD2' ' CZ ' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -55.41 -37.66 67.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -30.75 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -66.3 -38.69 88.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.04 -31.94 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 tp -66.44 -29.9 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.15 -52.46 65.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -59.72 -31.16 69.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -75.61 -26.52 57.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.78 -27.43 41.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.268 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' MET . . . . . 0.442 ' O ' ' CG ' ' B' ' 105' ' ' PHE . 42.8 mtt -79.06 -34.47 43.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.442 ' CG ' ' O ' ' B' ' 104' ' ' MET . 48.7 p90 43.9 31.3 0.48 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.508 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.928 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 m -127.61 173.67 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.74 143.32 36.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.449 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -54.32 159.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 179.467 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.67 64.3 1.84 Allowed Glycine 0 C--N 1.332 0.355 0 N-CA-C 107.095 -2.402 . . . . 0.0 107.095 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.562 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.63 -65.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -174.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -62.72 -12.82 26.27 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.055 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -43.93 -53.21 6.34 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -134.4 32.45 3.37 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -107.07 -49.22 8.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.692 177.743 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.6 p 53.86 169.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.344 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -74.55 -31.29 62.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.13 -56.22 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.191 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -35.73 79.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.937 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -60.77 -44.15 97.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.98 -46.49 89.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -59.29 -30.83 68.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 64' ' ' TYR . 81.8 mt -77.09 -29.94 55.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.1 t -67.01 -29.63 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -67.98 -29.04 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -45.41 85.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mp -59.93 -32.3 70.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.782 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.38 -30.05 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.6 -31.46 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.94 77.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.1 mt -71.4 -50.27 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -130.26 78.32 74.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.1 -62.22 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.627 2.218 . . . . 0.0 112.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 p -64.61 153.15 88.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.41 148.04 53.78 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.576 2.184 . . . . 0.0 112.305 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 18.8 p30 -140.34 86.55 12.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.4 -26.7 81.7 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.455 2.103 . . . . 0.0 112.029 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -25.45 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.57 -31.89 73.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.56 -31.11 69.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -87.09 -26.38 23.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.08 146.9 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.13 -27.75 61.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HD3' ' CD2' ' B' ' 101' ' ' PHE . 0.2 OUTLIER -57.25 -46.85 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.036 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -30.45 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -30.83 65.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -79.95 -31.58 39.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -41.87 85.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.2 t -59.95 -58.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.97 91.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -60.66 -53.16 60.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -28.25 69.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -70.42 -36.19 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -80.74 -34.37 34.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.063 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.6 t -75.52 -47.42 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.285 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -49.04 -46.38 44.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.792 0.33 . . . . 0.0 110.235 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.58 -31.15 78.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.451 -0.881 . . . . 0.0 110.926 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.4 -28.93 47.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.976 0.417 . . . . 0.0 110.258 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -48.92 52.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.837 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 8.9 t80 -59.6 -54.05 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.814 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.63 -39.52 61.82 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -46.88 -29.4 1.98 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 111.271 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.528 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -92.35 135.77 33.75 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.659 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.5 p-10 -94.45 -0.09 54.99 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.52 175.33 12.0 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.333 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.81 -44.46 61.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.0 -49.41 76.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.994 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.24 -30.6 68.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 55' ' ' TYR . 7.8 t80 -71.1 -31.77 68.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -29.91 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -75.26 -52.62 10.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.3 pp -58.5 -29.41 66.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.82 -44.12 86.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.42 92.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.44 -41.55 85.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -66.33 -55.8 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.763 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.6 mt -63.03 -31.56 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.745 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -71.54 -51.16 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.747 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -46.18 86.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.5 mt -67.14 -31.76 54.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -59.43 -52.57 65.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -63.65 -31.37 72.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.37 -30.71 71.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.7 -44.33 93.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.19 -31.64 70.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.69 -31.51 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -78.22 -28.05 47.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -74.36 -27.89 60.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -3.28 45.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.502 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.4 p -61.7 -12.19 15.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.663 0.268 . . . . 0.0 110.385 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -144.96 -14.06 0.53 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.264 0.554 . . . . 0.0 112.088 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.308 -1.204 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 p -106.38 31.92 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.0 28.44 2.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.525 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 10.4 m 68.56 -68.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -176.94 175.44 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -143.52 36.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.86 -27.48 57.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.7 tp -55.86 -34.67 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.871 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.6 m -78.11 -33.8 50.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.81 -31.25 45.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.27 -30.64 69.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.1 mt -78.78 -30.88 45.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -59.33 -32.78 70.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.415 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 11.0 t80 -59.86 -48.56 81.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 59.9 p -66.17 -36.81 84.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.51 93.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 34.5 mtp -86.6 -39.9 15.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -103.81 117.17 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.843 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 t 64.81 170.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.687 0.28 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.26 152.16 21.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.457 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -52.59 159.28 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.47 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.85 64.65 1.89 Allowed Glycine 0 C--N 1.331 0.299 0 N-CA-C 107.191 -2.364 . . . . 0.0 107.191 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.564 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.79 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.021 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -62.11 -13.16 23.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.988 -1.005 . . . . 0.0 113.494 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -50.29 9.22 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -177.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -131.69 34.26 3.92 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -115.89 -41.56 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' VAL . 4.4 p 45.79 179.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.022 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -75.0 -46.92 31.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.532 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -72.76 -56.38 5.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.019 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' HB3' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -55.41 -29.54 58.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.113 -179.621 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -69.95 -35.24 74.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.716 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -33.92 72.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -57.76 -30.65 65.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.416 HD22 ' CZ ' ' A' ' 65' ' ' TYR . 4.1 mt -80.15 -26.52 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.1 t -64.65 -28.76 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -72.41 -29.65 63.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -57.54 -43.28 84.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.79 -33.64 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.38 -29.15 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -76.38 -37.34 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.47 85.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.6 mt -72.55 -46.83 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -132.45 72.97 77.63 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.0 -63.01 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.547 2.165 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 p -60.16 139.82 91.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 155.63 17.55 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.503 2.136 . . . . 0.0 112.229 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 32.8 p-10 -155.61 75.32 5.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.27 -25.5 65.29 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.593 2.195 . . . . 0.0 112.073 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.79 -23.84 41.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.45 -36.07 71.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -57.07 -29.29 63.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -84.29 -25.53 29.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.51 136.26 52.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -70.75 -32.49 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -31.1 63.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.08 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 tpt -55.07 -24.49 25.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -54.9 -28.44 50.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -78.83 -33.75 45.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -37.51 81.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.6 t -79.25 -58.14 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.93 -33.29 50.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.209 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.06 -52.89 61.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.778 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.53 -28.2 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -67.1 -39.19 86.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -80.79 -36.09 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.51 -45.79 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.453 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.08 -47.11 45.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.81 0.338 . . . . 0.0 110.294 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.6 77.15 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -78.5 -28.92 46.41 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.975 0.417 . . . . 0.0 110.251 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.6 mmt -77.41 -45.37 26.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.904 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.564 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -59.97 -54.29 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -41.49 62.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.8 t -46.97 -29.06 1.85 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.998 0.428 . . . . 0.0 111.4 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.507 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -93.13 134.59 35.13 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.645 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.438 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 22.2 m120 -95.98 -0.13 51.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 176.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.02 -178.53 6.54 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -51.08 16.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -46.87 79.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.069 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -58.24 -30.25 66.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.424 ' CE1' ' HA ' ' A' ' 55' ' ' TYR . 12.9 t80 -74.06 -37.03 64.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.416 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -75.04 -28.43 60.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -73.42 -57.04 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 pp -57.86 -36.51 72.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.08 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.416 HD11 ' CE1' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -59.73 -36.08 75.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.19 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.17 -37.96 75.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -55.77 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.7 mt -63.13 -32.49 56.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.41 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 30.5 t80 -75.13 -45.72 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -67.62 -46.92 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.3 mt -66.8 -31.42 53.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -59.68 -49.42 77.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 25.3 mtpt -77.52 -27.17 51.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.13 -40.59 70.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.23 -30.38 66.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.94 -31.48 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.02 -31.32 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -30.85 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -64.44 -50.76 66.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.48 -3.31 46.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.404 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.4 t -63.14 -11.93 23.87 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -141.59 -14.2 0.85 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.297 0.57 . . . . 0.0 111.924 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.309 -1.156 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.894 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 23.0 m -100.05 159.21 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.51 -99.83 0.31 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 81.7 p -76.03 -74.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 20.6 t70 60.1 85.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -128.91 30.21 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.44 -28.72 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 mt -54.9 -36.05 64.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 96.9 p -78.13 -31.18 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -78.62 -31.15 46.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 mt -79.81 -50.53 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.44 -41.48 94.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.46 -31.23 69.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.71 -39.84 94.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 28.5 p -74.22 -45.59 47.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.76 68.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 43.0 ttm -71.26 -35.1 71.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -82.58 160.69 22.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.8 m -157.02 -179.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.089 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.75 163.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' HD3' ' HB2' ' A' ' 59' ' ' ASN . 1.4 mtmm -49.62 160.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.269 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.88 64.93 1.88 Allowed Glycine 0 C--N 1.332 0.345 0 N-CA-C 107.152 -2.379 . . . . 0.0 107.152 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.629 ' NE1' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -85.65 -64.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.467 ' HA ' HG21 ' A' ' 10' ' ' VAL . 95.4 m-70 -64.19 -13.24 47.43 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.983 -177.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -53.68 6.75 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -177.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 21.6 t-160 -133.35 40.68 3.15 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.541 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 0.6 OUTLIER -103.67 -54.74 6.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.888 177.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 p 55.61 167.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.3 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -74.31 -33.22 63.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.08 -56.07 25.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.61 -40.42 96.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.0 ttp85 -62.24 -52.92 61.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.1 m -57.71 -29.76 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.9 -30.32 65.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.417 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 1.2 mp -81.27 -30.24 34.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.54 -41.02 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -60.76 -27.57 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -43.44 81.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.821 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.09 -39.34 89.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.5 -28.54 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.05 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -74.44 -33.95 63.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.09 90.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.1 mt -81.04 -31.31 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.63 77.74 16.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.63 -62.05 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.39 147.94 94.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.47 146.61 44.84 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.517 2.145 . . . . 0.0 112.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -149.5 81.06 7.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.64 -19.06 43.52 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.591 2.194 . . . . 0.0 112.308 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.45 -26.27 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.94 -26.5 59.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.93 -29.41 42.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -96.43 -28.91 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.45 140.22 54.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -59.96 -30.08 68.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' B' ' 101' ' ' PHE . 2.1 tmm_? -51.19 -52.74 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -29.29 67.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.7 -32.86 63.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -79.89 -31.61 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.74 -43.45 96.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.1 t -58.39 -58.81 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.81 -34.51 71.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -64.24 -54.7 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.682 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.24 -29.7 64.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.061 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -34.56 78.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -39.08 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.48 -43.46 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.327 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -49.7 -43.68 47.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.868 0.366 . . . . 0.0 110.215 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.19 -32.46 84.23 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.38 -29.14 47.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 0.0 110.123 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 30.7 mmt -79.91 -32.26 40.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.596 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 15.7 t80 -76.44 -23.93 53.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.38 -30.66 18.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.655 0.264 . . . . 0.0 111.424 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.84 -28.04 5.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.013 0.435 . . . . 0.0 110.766 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.629 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -90.29 134.49 34.27 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.99 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.468 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 1.1 p-10 -104.55 5.18 33.7 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.26 173.64 13.74 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.77 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 61' ' ' ARG . 1.5 tpm_? -67.91 -60.61 2.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -50.7 -42.4 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.565 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -52.59 -48.81 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.12 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.417 ' CZ ' HD23 ' A' ' 18' ' ' LEU . 24.3 t80 -55.75 -29.12 59.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.78 -55.72 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.199 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -49.03 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 tt -53.8 -57.67 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.328 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 tt -52.81 -26.88 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.299 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.89 -40.25 65.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.038 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.52 -46.94 88.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.787 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -55.76 30.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.737 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.0 mt -63.31 -31.79 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -67.41 -48.59 66.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.72 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -67.28 -45.55 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.4 mt -63.86 -37.2 79.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.17 -33.77 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.827 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -77.41 -31.08 53.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.89 -35.44 80.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 67.2 tp -58.34 -31.53 67.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.1 -30.78 68.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -32.21 72.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -65.52 -33.48 76.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.28 -49.37 77.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -79.78 -3.43 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.372 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -62.1 -13.58 28.06 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 109.994 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -138.97 -13.63 1.21 Allowed 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.397 0.617 . . . . 0.0 111.8 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.312 -1.039 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.93 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t 68.33 -68.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.804 0.335 . . . . 0.0 111.056 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.37 173.13 47.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 17.4 p -101.22 153.47 19.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.2 126.34 27.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -101.39 -35.5 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -28.81 48.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 tt -55.44 -38.96 69.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 26.2 t -78.08 -30.94 49.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.85 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.79 -30.74 65.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 mt -75.89 -36.9 59.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.61 -37.82 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.8 -32.41 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.426 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 83.1 t80 -59.69 -38.87 82.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -77.11 -31.98 56.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.55 -31.36 42.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -60.08 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -107.65 148.55 29.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.905 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 t -125.27 170.68 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.64 34.36 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.528 ' O ' ' C ' ' A' ' 5' ' ' GLY . 2.7 mtmm 61.63 4.08 0.97 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.583 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 33.65 43.47 0.27 Allowed Glycine 0 C--N 1.348 1.222 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.705 ' HZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -80.47 -64.34 1.21 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -175.571 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -80.12 -13.02 59.6 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -176.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.82 -40.52 4.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.65 -178.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -133.57 20.21 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.456 HG23 ' CE3' ' A' ' 6' ' ' TRP . 15.7 t -114.37 93.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -126.81 -173.56 2.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.112 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -64.01 -42.63 97.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.086 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.58 -42.41 82.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.029 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -31.22 55.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.081 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.2 ttm105 -71.97 -30.6 65.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -58.29 -30.71 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -75.65 -31.26 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.402 HD21 ' CE1' ' A' ' 65' ' ' TYR . 6.2 mt -78.46 -37.35 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 t -59.87 -49.76 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -65.2 -32.44 74.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -62.98 -44.72 95.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -31.76 71.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.51 -30.79 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -62.73 -28.47 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.54 -62.65 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.199 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.28 -32.56 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.246 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.73 79.77 27.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.66 -64.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.646 2.231 . . . . 0.0 112.391 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.42 157.52 85.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.52 160.75 47.96 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.736 2.291 . . . . 0.0 112.176 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.75 86.23 0.97 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.732 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.55 -25.05 79.86 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.491 2.128 . . . . 0.0 112.104 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -24.34 41.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.64 79.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt -57.26 -31.02 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -86.11 -24.07 26.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.41 135.23 56.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -30.04 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -39.81 82.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -29.61 64.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -33.56 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.752 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -80.0 -31.28 39.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.793 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -43.84 94.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.64 -58.7 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.053 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -33.41 64.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -64.62 -51.62 61.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.702 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -28.15 69.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -72.9 -34.17 66.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.86 -37.93 29.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.014 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.51 -44.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -49.62 -43.79 46.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.848 0.356 . . . . 0.0 110.139 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.82 82.06 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.385 -0.912 . . . . 0.0 110.902 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -28.77 46.69 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.056 0.455 . . . . 0.0 110.16 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 35.1 mmt -74.88 -33.26 62.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.69 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.705 ' O ' ' HZ2' ' A' ' 6' ' ' TRP . 5.9 t80 -70.01 -54.66 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.557 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -52.62 -22.92 5.59 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 t -72.16 -21.68 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.475 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -103.48 129.57 50.67 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.498 ' O ' ' O ' ' A' ' 4' ' ' LYS . 2.4 p-10 -81.02 -3.83 53.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.6 t -152.56 -179.81 7.93 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.656 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HG3' HG22 ' A' ' 10' ' ' VAL . 1.3 ttp180 -74.32 -43.67 55.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -54.76 38.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.71 -28.97 67.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.42 ' CD1' ' HA ' ' A' ' 55' ' ' TYR . 13.9 t80 -70.74 -33.03 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.402 ' CE1' HD21 ' A' ' 18' ' ' LEU . 1.6 m-85 -77.66 -31.58 52.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.37 -51.42 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.89 -29.31 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.001 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -37.66 75.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.95 -43.08 96.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.67 -40.84 84.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -55.77 14.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 mt -64.02 -31.28 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -71.89 -53.39 13.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -45.66 91.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.3 mt -68.4 -30.06 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -43.06 91.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -77.3 -30.64 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.69 -28.8 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.89 -32.22 67.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.81 -31.56 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -70.34 -31.27 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -63.39 -31.42 72.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -43.93 41.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.74 -3.28 46.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.405 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.5 p -66.39 -9.1 30.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.712 0.292 . . . . 0.0 110.277 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -142.44 -13.91 0.78 Allowed 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.297 0.57 . . . . 0.0 112.065 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 C--N 1.309 -1.158 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.855 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 44.3 p -132.07 170.79 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -104.76 152.58 17.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 23.2 p -136.99 160.6 38.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.966 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.26 97.4 3.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -106.82 -30.89 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -28.64 67.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.66 -35.75 66.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 80.9 p -78.09 -31.67 50.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -34.78 76.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 42.0 mt -75.79 -31.54 59.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 7.7 tp -75.35 -31.93 60.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -60.85 -33.32 72.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -60.69 -40.51 92.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -73.53 -31.84 63.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.31 67.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 20.5 ttt -77.62 -44.29 28.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -104.31 106.09 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 t 60.38 170.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.756 0.312 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.64 35.55 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.2 mtmm 61.02 7.24 1.46 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.408 -0.329 . . . . 0.0 111.64 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 31.63 45.84 0.17 Allowed Glycine 0 C--N 1.348 1.25 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.738 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.28 -64.67 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.141 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.42 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 17.3 t-80 -80.67 -13.81 58.7 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -45.68 9.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.448 ' CD2' ' NH1' ' A' ' 61' ' ' ARG . 1.2 t60 -132.04 23.88 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.484 HG21 ' CE3' ' A' ' 6' ' ' TRP . 56.5 t -105.1 -52.26 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.42 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 3.8 p 54.47 168.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.401 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -37.72 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.08 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.54 -55.99 27.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.17 -31.2 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -65.08 -41.22 95.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -69.78 -31.08 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.94 -30.8 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.5 mt -79.55 -31.78 42.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.66 -32.43 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -61.48 -31.67 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -64.34 -45.46 87.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.765 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -39.63 84.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -72.64 -29.21 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -79.79 -27.18 40.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.05 -56.97 15.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.258 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.9 mt -65.55 -30.45 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CD2' ' OD2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -147.43 84.81 7.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.748 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -74.03 -45.55 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.56 2.173 . . . . 0.0 112.579 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.7 141.5 84.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.98 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.82 152.24 29.46 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.429 2.086 . . . . 0.0 112.279 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.408 ' OD2' ' CD2' ' A' ' 27' ' ' PHE . 12.8 p30 -158.64 75.58 3.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.77 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.45 -27.07 74.54 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.515 2.143 . . . . 0.0 112.058 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.75 -23.12 42.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.03 -36.63 72.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.52 -30.26 62.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.77 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -84.02 -23.68 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.776 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.02 143.34 52.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -30.41 63.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' HD3' ' CD2' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -67.62 -32.31 72.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.914 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -30.47 68.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.95 -31.21 64.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.71 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -79.95 -30.36 39.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.77 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.52 -42.95 88.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.39 -58.65 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -36.52 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -61.13 -52.36 65.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.712 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.03 70.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -69.94 -30.85 68.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -76.77 -39.2 52.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.49 -50.83 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -49.29 -44.42 44.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.933 0.397 . . . . 0.0 110.196 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.54 -30.35 76.29 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.299 -0.953 . . . . 0.0 110.883 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.42 -30.34 57.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.924 0.392 . . . . 0.0 110.215 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.6 mmt -67.07 -30.82 70.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.786 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.738 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 46.6 t80 -77.83 -22.48 49.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.194 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.35 -26.05 20.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.59 -45.34 45.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 0.0 111.209 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.616 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -73.19 126.91 31.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.605 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.48 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 5.6 m120 -89.72 3.64 52.14 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -160.14 156.74 27.22 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.46 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.448 ' NH1' ' CD2' ' A' ' 9' ' ' HIS . 8.2 ttp180 -56.51 -39.92 74.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -53.36 -54.81 31.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.993 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.94 -38.77 89.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -57.86 -37.96 74.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.769 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -77.74 -29.02 50.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -75.41 -53.25 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 pp -58.35 -30.48 66.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.987 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -46.97 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.86 89.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.89 -41.71 83.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -65.07 -55.77 16.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.748 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.4 mt -63.47 -31.28 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -72.22 -57.18 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -57.9 -47.74 81.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.7 mt -64.87 -30.31 49.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -66.45 -36.38 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -29.16 52.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -30.13 65.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -37.12 76.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.76 -31.67 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.27 -30.37 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -31.39 68.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -70.93 -48.32 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.82 -3.32 47.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.365 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.9 t -63.65 -11.61 26.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 0.0 110.187 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -141.64 -14.13 0.85 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.402 0.62 . . . . 0.0 112.039 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--N 1.311 -1.096 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.906 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -104.69 177.36 4.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -138.18 -129.99 2.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.51 169.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -93.22 160.86 14.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -132.23 -49.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -70.43 -28.93 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 tp -55.62 -35.7 66.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.814 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -31.51 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.82 -38.24 82.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 33.1 mt -75.61 -31.82 60.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.27 -43.75 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.95 -29.87 68.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.426 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 5.5 t80 -58.61 -33.65 70.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.4 m -79.75 -31.69 41.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.27 -47.79 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -31.45 72.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -122.59 100.63 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.939 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 m -125.53 173.58 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -139.19 140.99 37.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HD3' ' HB3' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -53.4 161.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.214 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.84 60.55 2.55 Favored Glycine 0 C--N 1.334 0.467 0 N-CA-C 107.401 -2.279 . . . . 0.0 107.401 175.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.727 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.27 -64.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -175.109 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.425 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 64.6 t-80 -76.41 -13.51 60.12 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.275 -177.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.7 -53.14 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.77 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -124.54 21.79 8.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.472 HG23 ' CE3' ' A' ' 6' ' ' TRP . 53.4 t -104.81 -53.64 6.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.425 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 1.3 p 52.93 164.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.696 178.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -74.89 -48.59 23.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.7 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.32 -56.28 21.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.812 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 10' ' ' VAL . 7.3 tt -62.58 -29.53 70.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.901 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -64.98 -31.07 72.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.662 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -34.63 73.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -64.38 -38.02 89.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.423 HD22 ' CE2' ' A' ' 64' ' ' TYR . 4.4 mp -71.01 -28.95 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.6 t -64.09 -27.36 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -72.2 -30.32 64.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -57.56 -43.74 84.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mt -60.56 -33.12 72.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.761 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -77.28 -28.84 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.124 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -31.99 67.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.26 -58.0 10.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.11 -39.59 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CZ ' ' CB ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -134.64 77.48 58.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.93 -47.56 0.57 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.55 2.167 . . . . 0.0 112.445 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.34 149.9 97.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.003 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.02 146.6 71.57 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.704 2.27 . . . . 0.0 112.278 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.438 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 7.3 t70 -167.57 90.21 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.791 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.49 -22.7 75.17 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.064 . . . . 0.0 112.141 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.52 -25.78 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.99 95.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 mt -57.95 -26.45 62.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.647 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.21 -22.79 20.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.16 137.08 57.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.873 0.368 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -44.35 96.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' HD3' ' CD2' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -55.99 -28.99 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.145 -179.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.0 tpp -59.41 -25.44 64.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.85 -29.63 63.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -79.89 -31.23 40.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -41.68 92.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 t -63.07 -58.75 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.8 69.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -62.29 -51.4 67.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.773 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.98 -32.22 73.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.039 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -62.44 -31.09 71.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -74.99 -43.31 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.36 -52.44 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -49.94 -43.65 50.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.937 0.398 . . . . 0.0 110.138 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.16 -30.92 79.08 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.0 -28.69 49.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 0.0 110.287 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 35.5 mmt -67.3 -32.49 73.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.801 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.727 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 45.1 t80 -77.63 -22.98 49.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.229 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.56 -32.67 16.2 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.196 -0.315 . . . . 0.0 111.553 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.25 -50.34 60.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.324 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.535 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -72.57 129.47 38.36 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.909 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.48 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 1.2 m-20 -96.38 4.83 51.95 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.5 t -152.14 161.4 42.69 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -59.97 -51.14 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -51.94 -50.19 61.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -61.33 -37.85 84.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.435 ' HB2' ' CH2' ' A' ' 6' ' ' TRP . 26.1 t80 -60.6 -42.89 97.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.704 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.412 ' CE2' HD11 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.73 -28.54 50.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.122 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.84 -57.09 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.367 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -53.63 -27.65 28.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.214 -179.659 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 67' ' ' LEU . 3.6 tt -72.6 -31.87 65.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.839 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.97 85.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -38.84 79.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -68.58 -55.8 10.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.769 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.5 mm -63.64 -31.67 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -66.42 -55.13 17.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.658 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -61.73 -44.64 96.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.1 mt -68.8 -31.08 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -59.68 -42.45 92.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -77.49 -28.14 52.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.82 -27.92 63.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tt -56.55 -31.36 64.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.066 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.56 -29.09 70.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -82.49 -26.84 32.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.47 -46.02 87.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.997 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -64.75 -45.72 85.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.98 -3.37 51.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.5 t -66.74 -9.54 37.74 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.3 mmm-85 -139.75 -14.47 1.07 Allowed 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.257 0.551 . . . . 0.0 111.921 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--N 1.309 -1.165 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.911 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 8.9 p -137.2 -178.11 5.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' B' ' 92' ' ' ASP . . . -140.87 29.03 2.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.529 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 62.9 p 52.87 -86.23 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.543 0.211 . . . . 0.0 111.33 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' B' ' 90' ' ' GLY . 1.7 t0 60.77 36.03 19.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -97.61 -29.79 13.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -58.71 -28.27 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.62 -36.38 66.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.824 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 10.5 m -78.0 -31.24 50.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -66.41 -52.89 41.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.03 -36.4 77.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.27 -30.95 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.84 -31.83 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.426 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 8.5 t80 -59.66 -46.11 90.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -83.26 -37.25 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.08 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.6 ttp -65.85 -59.35 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.34 129.48 53.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.892 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m -132.5 176.12 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.33 153.56 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.447 ' HD3' ' HB3' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -53.94 159.49 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 179.497 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.89 64.77 1.9 Allowed Glycine 0 C--N 1.333 0.382 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 175.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.563 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.95 -65.22 1.04 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -174.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -61.67 -12.76 17.78 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.757 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -43.73 -50.64 7.59 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -177.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -134.39 36.17 3.19 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -114.98 -42.71 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 10' ' ' VAL . 2.4 p 48.61 175.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.848 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -75.01 -48.51 23.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.828 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.52 -56.46 5.34 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 10' ' ' VAL . 8.1 tt -53.63 -29.57 38.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.106 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -65.42 -31.83 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.717 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -31.72 71.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -61.3 -30.95 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD22 ' CE2' ' A' ' 64' ' ' TYR . 4.8 mp -78.87 -31.31 45.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.71 -34.61 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -62.33 -27.5 69.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -56.46 -44.53 80.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.5 mt -60.34 -41.41 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.709 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.19 -29.72 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -78.44 -26.84 46.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.07 -61.5 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.165 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -66.15 -30.76 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.41 82.84 13.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.45 -63.16 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.6 2.2 . . . . 0.0 112.346 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 p -66.97 149.31 98.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.75 146.68 48.96 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.538 2.159 . . . . 0.0 112.258 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -154.61 85.68 3.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.82 -18.73 50.67 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.601 2.201 . . . . 0.0 112.271 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.84 -28.01 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.733 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.08 -26.02 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.012 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.92 -35.96 67.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.981 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -83.37 -29.56 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.84 142.86 39.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -26.52 65.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' NH1' ' CG ' ' B' ' 101' ' ' PHE . 5.4 tmm_? -53.99 -48.05 70.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -29.32 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.76 -42.44 75.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.599 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -79.96 -32.33 39.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.78 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -44.77 95.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.6 t -60.1 -59.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.04 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -70.25 -53.99 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.86 -28.24 69.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -71.31 -35.7 71.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -80.8 -38.06 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.55 -44.87 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.407 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -49.05 -43.16 40.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.902 0.382 . . . . 0.0 110.361 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.98 -32.29 83.72 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.38 -0.914 . . . . 0.0 110.912 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -78.52 -28.16 46.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.009 0.433 . . . . 0.0 110.322 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.5 mmt -71.82 -46.18 59.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.563 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -60.33 -54.41 46.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.04 -40.62 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.89 -28.67 2.77 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.962 0.41 . . . . 0.0 111.272 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.517 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -92.91 133.75 35.79 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.696 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.447 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 1.6 m120 -95.44 0.08 52.94 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 m -150.03 175.91 11.27 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.661 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -50.38 19.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.2 -45.96 75.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.68 -40.98 94.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CE2' HD22 ' A' ' 18' ' ' LEU . 9.8 t80 -59.74 -32.63 70.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.98 -55.48 6.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -65.82 -44.91 84.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.72 -55.33 34.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 64' ' ' TYR . 5.6 tt -57.09 -28.57 62.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.25 68.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.154 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.26 -43.57 83.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -61.8 -55.86 25.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.687 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.0 mt -60.8 -32.12 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.792 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -75.13 -43.36 53.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.811 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -72.18 -45.86 58.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 mt -64.97 -31.78 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.94 -47.28 86.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -70.07 -29.37 66.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.985 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.47 -24.98 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.65 -27.58 50.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -33.21 75.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -62.85 -27.1 69.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -56.26 -29.24 60.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -49.16 71.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -3.25 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.375 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -67.32 -8.44 32.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.75 0.309 . . . . 0.0 110.334 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.52 -13.96 0.77 Allowed 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.229 0.538 . . . . 0.0 112.028 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.31 -1.137 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.887 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.79 -169.51 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.98 -40.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 7.5 p 56.76 168.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 60.01 174.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 69.43 -65.72 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.86 -26.92 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 63.7 tp -55.06 -31.62 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.08 -31.36 50.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.8 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -65.22 -34.23 77.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 24.0 mt -69.96 -30.84 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.76 -34.01 69.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.65 -32.04 64.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.427 ' CG ' ' NH1' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -59.91 -57.46 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -30.68 68.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.46 -30.45 66.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 1.6 ttm -82.78 -31.35 28.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -149.89 138.03 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.924 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 t -119.13 170.68 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.322 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.17 158.86 37.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' CD1' ' A' ' 6' ' ' TRP . 0.9 OUTLIER -56.83 163.24 2.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.429 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.21 64.64 2.03 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 106.966 -2.454 . . . . 0.0 106.966 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.681 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.62 -64.53 1.14 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -174.67 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.416 ' CE1' ' OH ' ' A' ' 55' ' ' TYR . 2.1 m-70 -63.28 -13.01 33.58 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.778 -1.101 . . . . 0.0 113.664 -176.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -43.78 -49.66 8.01 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.99 39.26 3.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 3.9 t -103.19 -62.89 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.97 0.414 . . . . 0.0 109.946 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p 56.26 168.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.124 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -74.42 -38.25 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.5 -56.04 24.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -37.72 79.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -50.12 73.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -64.55 -29.51 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.015 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -73.59 -30.59 63.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' A' ' 64' ' ' TYR . 17.5 mt -81.42 -33.11 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.056 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.2 t -59.08 -29.29 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -71.86 -30.05 65.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -59.15 -46.71 87.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.3 mp -60.11 -32.28 70.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.67 -30.79 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -25.12 54.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.74 -61.2 2.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.288 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.78 -32.12 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.213 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -143.42 84.96 9.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.73 -46.56 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.561 2.174 . . . . 0.0 112.402 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.97 149.8 87.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.62 147.12 93.02 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.626 2.218 . . . . 0.0 112.262 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -153.83 78.47 5.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.48 -21.25 53.16 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.629 2.219 . . . . 0.0 112.204 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.18 -23.38 43.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.03 -28.66 66.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.181 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.88 -36.03 71.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -82.45 -25.68 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.05 140.58 54.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.13 -25.57 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' NH2' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -56.39 -39.54 73.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.998 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 50.7 tpp -57.98 -29.12 64.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.79 -30.49 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.832 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -79.93 -29.9 39.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.402 ' CD1' ' NH2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -57.83 -48.15 80.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.3 t -59.68 -59.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.047 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.48 80.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -61.25 -55.37 32.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.739 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.53 72.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -33.53 75.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -71.94 -43.91 64.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.86 -55.09 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -44.13 54.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.399 . . . . 0.0 109.97 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.32 -31.18 78.38 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.25 -29.08 62.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.916 0.389 . . . . 0.0 110.071 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -34.26 77.29 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.692 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.681 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 37.5 t80 -76.26 -23.24 54.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.8 -35.04 15.06 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.923 0.392 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 p -67.59 -52.46 38.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.682 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.513 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -66.76 127.12 31.26 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.271 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.473 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 1.5 m-20 -94.12 4.9 53.25 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.3 p -153.49 165.23 36.49 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' NH1' ' CD1' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -65.71 -44.1 87.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -57.36 -53.39 58.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.681 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.14 -38.35 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.429 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.42 ' CE2' HD12 ' A' ' 18' ' ' LEU . 31.2 t80 -60.84 -39.16 88.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.613 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.447 ' CD1' ' NH1' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -77.89 -32.02 51.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.221 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -80.82 -57.12 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.412 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -27.86 65.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.044 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.35 -31.3 67.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.809 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.91 -35.32 72.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.42 -41.21 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -55.73 18.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.628 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.1 mt -62.67 -31.05 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.791 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -75.2 -51.84 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.718 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.97 -42.98 95.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.2 mt -71.05 -29.88 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -49.13 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -77.53 -29.9 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -60.07 -29.71 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.989 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.66 -30.65 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.73 -31.65 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -68.31 -30.87 69.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.29 -30.63 68.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -59.62 -49.16 78.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -3.29 47.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.357 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.4 t -66.89 -8.84 32.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.675 0.274 . . . . 0.0 110.266 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -142.04 -13.92 0.82 Allowed 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.31 0.576 . . . . 0.0 111.998 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.31 -1.113 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 38.5 t -140.25 91.78 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.78 -145.06 16.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.56 169.14 20.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.83 139.0 55.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -132.69 -46.71 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -75.84 -29.15 58.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.7 tp -55.5 -37.81 68.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.783 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 4.9 m -77.99 -30.95 50.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -75.45 -31.64 60.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 mp -79.94 -42.08 24.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.25 -34.01 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -51.66 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.14 -37.49 80.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -69.07 -39.12 79.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.04 63.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.0 mmt -62.48 -41.83 99.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -98.28 35.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.917 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.8 m -135.67 174.61 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.724 0.297 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -135.59 136.91 41.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HD3' ' HB3' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -53.99 161.59 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.8 63.67 1.94 Allowed Glycine 0 C--N 1.334 0.427 0 N-CA-C 107.171 -2.372 . . . . 0.0 107.171 175.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.53 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.81 -64.96 1.07 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -174.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -62.42 -13.15 26.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.47 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -51.39 8.57 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -177.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.428 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -133.12 40.21 3.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -111.21 -51.59 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 177.496 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p 51.62 176.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.33 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -74.63 -44.37 50.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -58.72 -56.22 24.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.623 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -42.08 97.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.019 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 t -78.28 -34.41 48.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -47.36 86.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 64' ' ' TYR . 1.4 mt -60.55 -35.05 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.65 -29.86 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -73.11 -28.52 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -57.72 -44.64 86.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.66 -32.36 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.7 t -73.0 -29.46 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.17 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -79.63 -30.36 41.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.26 -47.37 81.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.401 ' CD1' ' CD2' ' A' ' 43' ' ' LEU . 30.5 mt -74.01 -44.61 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.05 77.29 76.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.3 -62.46 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.606 2.204 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 79.8 p -68.91 154.76 94.59 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.38 154.7 45.84 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.71 92.03 1.41 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.69 -25.65 75.14 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.408 2.072 . . . . 0.0 112.176 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.75 -25.77 40.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.998 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.23 60.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.82 -31.04 68.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.71 -24.61 25.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.73 148.54 33.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -27.43 69.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' CD ' ' CD2' ' B' ' 98' ' ' LEU . 2.2 tmm_? -56.1 -46.24 79.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.013 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.45 -29.09 48.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -56.82 -39.1 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -79.88 -29.85 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.864 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' CD2' ' CD1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -58.17 -49.48 76.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.59 -59.15 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.1 82.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.64 -52.95 62.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.57 -28.2 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -66.29 -36.48 83.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -80.72 -35.64 33.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.995 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.5 t -75.52 -46.59 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.202 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -49.55 -46.31 48.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.288 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.02 -31.25 80.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.419 -0.896 . . . . 0.0 110.987 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -78.41 -28.81 46.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.95 0.405 . . . . 0.0 110.32 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.9 mmt -68.75 -41.12 79.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.53 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -64.65 -54.29 34.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.22 -40.47 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.28 -29.2 2.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.923 0.392 . . . . 0.0 111.354 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -92.95 133.82 35.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.634 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.442 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 3.3 m-20 -95.6 0.33 52.73 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 176.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -151.16 173.89 13.88 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HG2' ' HB3' ' A' ' 9' ' ' HIS . 4.6 tpt180 -70.34 -55.94 7.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.788 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -50.05 -49.77 50.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.248 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -58.98 -40.78 85.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 55' ' ' TYR . 9.7 t80 -58.66 -30.91 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.408 ' CD1' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.77 -55.55 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.943 -179.829 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -65.75 -30.84 71.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -74.68 -53.32 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 64' ' ' TYR . 7.4 tt -57.67 -29.76 64.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.3 -30.44 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.06 -40.4 80.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.85 -55.85 16.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.7 mt -61.23 -32.33 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.805 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -75.07 -37.72 61.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.718 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -77.15 -46.34 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.8 mt -62.19 -44.17 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -60.23 -31.47 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.83 -31.48 68.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -67.99 -30.82 70.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.49 -30.69 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.18 -31.51 72.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.14 -42.36 62.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -69.36 -34.9 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -34.32 77.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -81.34 -3.21 51.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.384 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 t -66.53 -8.98 30.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.7 0.286 . . . . 0.0 110.278 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.0 tpt85 -142.46 -13.76 0.78 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.285 0.564 . . . . 0.0 112.047 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--N 1.31 -1.151 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.8 p -106.99 -31.43 8.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 160.89 -28.35 0.31 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.73 -177.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.72 145.88 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -109.98 -30.24 7.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.27 -27.24 63.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 pp -55.23 -31.81 61.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.82 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.99 -33.08 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.3 -32.1 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.401 ' CD2' ' CD ' ' A' ' 39' ' ' ARG . 1.2 mt -67.57 -29.62 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.48 -31.38 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -61.39 -53.69 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.413 ' CE1' ' CE1' ' B' ' 105' ' ' PHE . 87.3 t80 -58.59 -30.16 66.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -77.06 -37.2 55.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.99 -32.37 34.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.26 -59.47 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.413 ' CE1' ' CE1' ' B' ' 101' ' ' PHE . 8.4 m-85 -62.8 -47.71 82.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.917 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.735 -0.146 . . . . 0.0 112.735 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 t 65.32 170.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.845 0.355 . . . . 0.0 110.93 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.54 41.16 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.571 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.1 mtmm 59.71 8.27 1.27 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 119.432 -0.318 . . . . 0.0 111.572 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 30.31 47.37 0.13 Allowed Glycine 0 C--N 1.347 1.17 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.583 ' CZ3' ' CE2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.34 -64.42 1.19 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -175.202 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.95 -12.24 60.88 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -53.32 5.75 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.93 33.57 2.4 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -178.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 6' ' ' TRP . 9.7 t -100.46 -62.57 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.859 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p 55.55 168.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.148 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -74.47 -37.99 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.146 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.23 -56.18 18.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.218 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -35.05 76.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.83 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -70.55 -36.32 73.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 p -59.72 -32.69 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -72.98 -34.19 66.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.422 HD23 ' CE2' ' A' ' 64' ' ' TYR . 4.0 mp -76.88 -31.27 56.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.5 t -61.64 -32.9 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -28.36 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -57.63 -45.5 85.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.99 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -60.18 -32.02 70.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.24 -30.46 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -80.74 -35.24 33.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.86 86.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.432 HG21 HD12 ' A' ' 26' ' ' ILE . 30.8 mt -74.5 -47.8 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.409 ' CE2' ' OD2' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -128.69 71.88 81.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.93 -62.42 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.599 2.2 . . . . 0.0 112.391 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.1 p -59.69 154.35 46.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.95 153.35 68.15 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.634 2.222 . . . . 0.0 112.313 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' CE2' ' A' ' 27' ' ' PHE . 9.5 p30 -153.57 85.43 4.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.59 -27.12 84.28 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.462 2.108 . . . . 0.0 112.07 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.66 -24.97 41.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.91 89.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.41 -29.01 61.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -89.09 -24.89 22.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.42 138.19 57.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -73.16 -30.87 63.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.429 ' HD3' ' CD2' ' B' ' 101' ' ' PHE . 0.0 OUTLIER -60.84 -35.27 76.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 tpp -60.52 -28.6 68.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.65 -31.43 64.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -79.89 -30.53 40.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.45 -42.41 87.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.67 -59.1 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.55 73.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -60.53 -46.89 88.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.21 63.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -69.95 -32.97 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.088 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -80.77 -39.16 27.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.9 t -75.49 -44.64 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.378 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -49.35 -43.6 43.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.84 0.353 . . . . 0.0 110.227 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.74 -32.52 84.45 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.47 -30.03 47.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.99 0.424 . . . . 0.0 110.14 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.1 mmt -74.58 -31.61 62.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.779 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 2.1 t80 -72.48 -54.68 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.613 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.27 -24.62 63.4 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.3 -23.23 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.654 0.264 . . . . 0.0 111.65 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' CE2' ' A' ' 6' ' ' TRP . . . -97.33 127.17 43.06 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.518 ' O ' ' O ' ' A' ' 4' ' ' LYS . 3.3 p-10 -81.88 -4.11 55.74 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 9.0 m -145.45 176.49 9.55 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.449 ' HG2' ' CG2' ' A' ' 10' ' ' VAL . 4.8 tmm_? -74.29 -54.61 7.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.998 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.18 -43.1 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.124 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.06 -38.81 77.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.457 ' CE1' ' HA ' ' A' ' 55' ' ' TYR . 22.4 t80 -63.41 -30.45 71.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.753 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -49.05 24.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -74.42 -32.45 62.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -70.51 -53.32 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.416 HD11 ' CE1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -57.49 -35.83 70.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.026 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -30.25 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.21 -46.42 90.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.447 ' O ' HG12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -62.35 -56.6 16.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.907 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 4.2 mt -58.91 -28.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.158 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.61 -44.55 42.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.797 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -40.09 31.81 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -178.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -74.53 -29.58 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.051 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 7.0 mt-30 -59.88 -57.97 10.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.393 . . . . 0.0 110.722 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -59.91 -28.85 67.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.14 -29.55 65.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.002 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -38.71 78.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.35 -40.42 95.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.49 -31.12 69.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -75.26 -31.05 60.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.11 -42.1 97.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.73 -3.35 47.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.408 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -9.55 30.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -142.41 -13.71 0.78 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.277 0.56 . . . . 0.0 112.041 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.31 -1.151 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.926 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 62.1 m 60.49 95.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -105.06 80.12 0.29 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.37 169.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.76 164.66 12.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.72 -50.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -28.63 56.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.987 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 8.6 tt -55.4 -36.68 66.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.9 p -78.05 -31.26 50.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -69.63 -32.16 70.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 82.6 mt -71.2 -37.48 72.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.9 mp -78.65 -39.88 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.79 -30.84 69.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.429 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 11.6 t80 -59.04 -53.25 60.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -62.33 -32.32 73.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.04 -31.69 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 26.3 mmm -86.69 -52.59 5.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.68 165.43 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.918 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.461 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.317 0.103 . . . . 0.0 111.067 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.79 64.1 1.9 Allowed Glycine 0 C--N 1.334 0.457 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 175.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.521 ' CZ3' ' CZ ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.59 -64.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -174.876 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.613 ' HA ' HG23 ' A' ' 10' ' ' VAL . 7.7 t-80 -62.13 -13.01 22.74 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.097 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 1.1 pp20? -44.02 -53.2 6.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -130.09 26.94 5.16 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.613 HG23 ' HA ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -96.02 -42.46 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.276 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 12' ' ' GLN . 10.4 m 51.71 166.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.834 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.428 ' N ' HG22 ' A' ' 11' ' ' THR . 1.6 tt0 -74.55 -52.52 11.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -53.7 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.305 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.05 -29.79 32.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.229 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 19' ' ' VAL . 23.3 ttm180 -71.64 -35.11 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.788 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 m -62.27 -31.43 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -64.77 -35.49 81.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 68' ' ' LEU . 10.6 mp -73.38 -34.25 65.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 15' ' ' ARG . 31.6 t -59.79 -38.88 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -61.08 -36.24 79.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' HB3' HD13 ' A' ' 72' ' ' ILE . 9.1 mmtm -59.84 -33.01 71.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.74 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -36.89 74.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.709 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.2 t -77.36 -30.96 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -65.87 -30.36 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.679 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.44 -47.72 83.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.728 HD12 HD21 ' A' ' 43' ' ' LEU . 31.1 mt -73.52 -31.15 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.7 82.38 10.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.27 -46.45 1.42 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.59 2.194 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.56 148.82 85.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.94 146.43 52.85 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.647 2.231 . . . . 0.0 112.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.26 91.15 3.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.49 -25.66 75.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.367 2.044 . . . . 0.0 112.151 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.71 -26.54 40.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.063 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -33.56 76.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.21 -31.45 67.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -85.3 -24.29 27.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.17 136.57 57.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.59 -29.02 70.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.803 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -58.71 -41.09 85.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -30.03 64.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.21 -35.16 69.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.749 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -79.9 -29.93 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.803 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -58.04 -48.41 80.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 t -62.08 -58.87 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.41 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.474 ' OH ' HD13 ' B' ' 95' ' ' LEU . 64.6 t80 -60.9 -54.16 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.75 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -68.39 -31.31 70.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -80.78 -41.76 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.475 HG12 ' SD ' ' A' ' 54' ' ' MET . 20.3 t -75.47 -43.65 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.207 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.28 -42.47 52.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 110.078 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.07 -31.97 82.62 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -78.48 -29.34 46.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.008 0.433 . . . . 0.0 110.13 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.475 ' SD ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -77.02 -41.11 43.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.521 ' CZ ' ' CZ3' ' A' ' 6' ' ' TRP . 7.5 t80 -62.82 -54.24 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.772 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.83 -39.3 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.478 ' HB3' HD22 ' A' ' 67' ' ' LEU . 18.5 t -47.61 -28.62 2.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.893 0.378 . . . . 0.0 111.332 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.546 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -93.55 134.46 35.81 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.714 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 8.1 p-10 -96.27 0.08 50.42 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 176.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.0 154.66 34.14 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.521 ' HG2' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -57.32 -28.35 63.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.084 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -54.66 20.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -59.68 -31.49 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.561 ' HA ' HD21 ' A' ' 67' ' ' LEU . 13.4 t80 -67.81 -30.73 70.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -28.23 50.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -78.33 -53.86 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.029 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.561 HD21 ' HA ' ' A' ' 64' ' ' TYR . 3.7 pp -57.09 -30.57 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.75 ' CD2' HD11 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -63.65 -38.73 92.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.91 92.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -58.77 -46.99 86.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.467 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -60.48 -55.8 29.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 68' ' ' LEU . 17.2 mt -63.73 -31.42 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -68.43 -56.88 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.749 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -57.39 -44.26 84.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.6 mt -68.88 -32.65 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.075 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -48.43 81.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -77.14 -29.98 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.87 -30.2 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.592 ' HG ' HD23 ' B' ' 99' ' ' LEU . 6.4 mt -59.14 -31.28 68.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -41.85 91.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.99 -31.64 71.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.795 0.331 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.474 HD13 ' OH ' ' A' ' 46' ' ' TYR . 29.2 tp -55.92 -35.36 66.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.796 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.8 m -78.07 -31.32 50.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.791 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.25 -31.2 60.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 43' ' ' LEU . 42.1 mt -68.0 -45.1 75.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.592 HD23 ' HG ' ' A' ' 79' ' ' LEU . 3.5 mp -68.65 -33.54 74.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.34 -32.48 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -64.06 -48.91 74.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -74.94 -31.64 61.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.52 -32.1 72.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.474 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 120.448 0.166 . . . . 0.0 111.328 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.13 61.25 2.65 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 107.215 -2.354 . . . . 0.0 107.215 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.747 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.52 -64.11 1.25 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -175.038 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.424 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 3.2 t-80 -74.74 -13.72 60.64 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.468 -177.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.94 -53.32 7.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -120.56 22.24 11.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.504 HG21 ' CZ3' ' A' ' 6' ' ' TRP . 98.3 t -107.21 -52.94 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.424 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 2.9 p 53.33 170.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.542 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -74.62 -46.6 37.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.238 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.15 -56.18 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.375 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -30.48 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.998 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.642 ' O ' HG23 ' A' ' 19' ' ' VAL . 42.2 ttt-85 -64.69 -45.79 85.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -30.94 69.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -31.14 67.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.823 HD21 ' CE1' ' A' ' 65' ' ' TYR . 8.1 mt -79.42 -31.53 42.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.656 HG13 ' OE1' ' A' ' 51' ' ' GLU . 46.3 t -58.89 -30.39 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.034 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -73.24 -29.2 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HG3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.51 -43.19 89.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.806 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 51' ' ' GLU . 22.2 mt -62.4 -31.74 72.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.735 HG13 HD22 ' A' ' 43' ' ' LEU . 25.4 t -73.87 -28.8 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.043 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -73.37 -28.82 62.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.899 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.85 -66.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.192 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 22' ' ' LEU . 2.6 mp -62.28 -31.76 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -139.0 83.07 18.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HG2' HD22 ' A' ' 79' ' ' LEU . 31.7 Cg_exo -58.67 -63.79 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.3 p -59.96 141.39 89.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -77.61 167.27 24.43 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.64 2.227 . . . . 0.0 112.3 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' OD2' ' HB2' ' A' ' 34' ' ' ALA . 35.4 t0 -177.64 110.93 0.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.779 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.55 -27.03 46.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.428 2.085 . . . . 0.0 112.202 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.57 -29.18 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . -58.96 -30.04 67.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.51 -33.75 70.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -84.56 -24.24 29.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.31 157.31 11.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.17 -31.55 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.497 ' NE ' HD12 ' A' ' 43' ' ' LEU . 5.4 tmm_? -57.78 -51.81 68.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 tpt -57.96 -30.32 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -57.22 -39.25 75.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.65 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -79.94 -29.07 39.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.91 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.735 HD22 HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.74 -43.43 90.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.685 HG12 ' HD3' ' A' ' 48' ' ' LYS . 23.0 t -61.15 -59.64 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.83 -41.09 81.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.615 ' O ' HG23 ' A' ' 50' ' ' VAL . 15.3 t80 -60.44 -46.96 88.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.21 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.234 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.685 ' HD3' HG12 ' A' ' 44' ' ' VAL . 15.4 mtpt -68.03 -35.37 78.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -76.2 -36.82 58.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.1 t -75.49 -51.49 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.216 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.656 ' OE1' HG13 ' A' ' 19' ' ' VAL . 12.9 pt-20 -49.34 -46.97 47.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.917 0.389 . . . . 0.0 110.289 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.5 77.53 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.452 -0.88 . . . . 0.0 110.961 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.34 -28.99 47.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.948 0.404 . . . . 0.0 110.309 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -66.92 -45.69 77.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.747 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 43.8 t80 -60.81 -22.68 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.198 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.65 -30.68 17.0 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.133 -0.355 . . . . 0.0 111.694 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.585 ' HB3' HD11 ' A' ' 67' ' ' LEU . 33.3 t -67.36 -48.65 66.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.981 0.419 . . . . 0.0 110.561 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.524 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -75.32 131.08 40.04 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.117 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.474 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 12.4 p30 -99.4 6.48 46.04 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 176.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.83 170.98 17.51 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.339 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.451 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -69.0 -60.36 2.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.8 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.27 -45.73 45.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.703 ' O ' HD23 ' A' ' 67' ' ' LEU . 4.4 tt0 -59.19 -49.5 77.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.274 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.446 ' HA ' ' HB2' ' A' ' 58' ' ' ALA . 25.4 t80 -48.99 -42.98 39.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.773 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.823 ' CE1' HD21 ' A' ' 18' ' ' LEU . 1.1 m-85 -77.94 -25.65 48.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.176 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -74.41 -57.34 4.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.845 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 63' ' ' GLU . 0.9 OUTLIER -68.75 -32.99 73.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.727 0.298 . . . . 0.0 111.097 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 68' ' ' LEU . 10.4 tt -69.34 -31.46 69.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.806 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.74 -35.68 51.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -57.17 -45.39 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 75' ' ' ILE . 6.5 mtpp -60.02 -54.03 50.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 25' ' ' ALA . 30.1 mm -64.55 -31.38 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -70.29 -44.66 67.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.793 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -45.39 64.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 71' ' ' LYS . 10.4 mt -66.45 -32.82 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -64.27 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -29.48 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.47 -24.76 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.488 ' HA ' HD21 ' B' ' 99' ' ' LEU . 35.7 tp -55.49 -39.14 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.271 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -31.06 68.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.961 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.45 -31.28 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.65 ' HG3' HD23 ' B' ' 99' ' ' LEU . 2.4 mmtt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.755 0.312 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.51 -36.24 66.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -31.54 50.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.812 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.12 -44.64 72.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.427 HD23 ' CD ' ' A' ' 39' ' ' ARG . 2.1 mp -60.76 -44.48 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.65 HD23 ' HG3' ' A' ' 82' ' ' LYS . 2.5 tp -59.55 -31.11 69.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -61.47 -42.43 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.59 -30.99 69.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -80.42 -43.52 20.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.22 -30.15 70.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 7.5 ttp . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.456 0.17 . . . . 0.0 111.334 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.5 62.63 2.29 Favored Glycine 0 C--N 1.334 0.466 0 N-CA-C 107.253 -2.339 . . . . 0.0 107.253 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.72 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.4 -64.16 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -174.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 20.5 t60 -77.42 -14.35 59.72 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.654 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -47.6 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -125.9 22.47 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' A' ' 61' ' ' ARG . 74.7 t -106.52 -51.42 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.444 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 3.2 p 53.1 170.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.502 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -74.62 -40.33 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.213 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.91 -56.13 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.446 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -31.05 67.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.938 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.686 ' O ' HG23 ' A' ' 19' ' ' VAL . 9.1 ttt180 -64.6 -47.39 78.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -30.59 68.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -71.86 -30.77 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.583 HD21 ' CZ ' ' A' ' 65' ' ' TYR . 11.8 mt -80.16 -30.45 38.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 15' ' ' ARG . 32.8 t -62.2 -30.77 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -32.1 69.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -59.33 -43.9 92.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -32.15 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -74.81 -29.66 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -29.37 63.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -56.25 -58.2 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.608 ' HB ' HD21 ' A' ' 43' ' ' LEU . 33.1 mt -71.4 -31.02 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.413 ' CE2' ' CD1' ' B' ' 101' ' ' PHE . 0.1 OUTLIER -137.04 83.61 27.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.98 -46.25 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.575 2.183 . . . . 0.0 112.434 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.76 149.86 81.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.12 153.44 67.29 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -161.28 87.59 1.64 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.743 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.98 -26.91 83.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.496 2.131 . . . . 0.0 112.1 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.69 -24.9 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.048 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 31' ' ' ASP . . . -61.8 -31.18 71.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.21 -31.8 69.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.749 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.34 -25.15 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.28 137.68 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -31.24 71.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.67 ' HD2' HD23 ' B' ' 98' ' ' LEU . 0.1 OUTLIER -60.18 -36.86 78.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.649 ' CE ' HD13 ' A' ' 43' ' ' LEU . 2.3 tpt -58.33 -29.41 65.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -34.64 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.728 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -79.93 -30.82 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.808 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.649 HD13 ' CE ' ' A' ' 40' ' ' MET . 0.4 OUTLIER -58.67 -42.74 89.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 t -67.13 -58.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.95 -34.9 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -65.79 -51.02 62.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.23 -31.19 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -64.39 -30.84 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -37.91 57.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.66 -51.93 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.62 -49.12 48.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.892 0.377 . . . . 0.0 110.287 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.84 -29.36 72.11 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.047 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.33 -29.58 47.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.028 0.442 . . . . 0.0 110.227 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.3 mmt -64.44 -38.34 90.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.761 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.72 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 46.7 t80 -68.78 -22.83 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -90.52 -32.95 16.12 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.784 0.326 . . . . 0.0 111.654 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.438 ' HB3' HD11 ' A' ' 67' ' ' LEU . 15.1 t -67.54 -50.26 59.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.894 0.378 . . . . 0.0 110.459 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.527 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -72.16 128.94 37.25 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.868 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 13.1 p-10 -98.45 7.26 46.41 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.8 m -148.63 174.59 11.98 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.212 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.499 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.27 -57.44 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.982 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.99 -37.22 52.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -68.69 -41.14 79.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.723 ' HA ' HD22 ' A' ' 67' ' ' LEU . 28.3 t80 -60.83 -39.32 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.759 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.583 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -77.73 -30.39 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -80.87 -55.71 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.339 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.876 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -53.86 -27.67 31.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.217 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.876 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.5 tt -75.93 -37.78 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -33.58 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.34 -37.88 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 75' ' ' ILE . 1.4 mmmp? -68.41 -55.76 10.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.724 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.566 HG23 ' HB2' ' A' ' 25' ' ' ALA . 13.2 mt -64.73 -30.97 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -68.06 -57.84 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.753 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -45.66 88.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 71' ' ' LYS . 17.3 mt -67.82 -30.64 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -61.21 -44.07 97.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -74.84 -30.85 61.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.51 -29.01 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.709 HD12 ' HG ' ' B' ' 99' ' ' LEU . 7.9 tp -57.47 -30.54 65.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -74.21 -31.19 62.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -31.62 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.791 ' HG3' HD23 ' B' ' 99' ' ' LEU . 5.6 mmtm . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.774 0.321 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.6 -36.58 67.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.817 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 28.0 m -78.16 -31.08 49.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.83 -38.25 87.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.67 HD23 ' HD2' ' A' ' 39' ' ' ARG . 6.9 mt -73.19 -31.08 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.791 HD23 ' HG3' ' A' ' 82' ' ' LYS . 5.0 tp -76.45 -37.57 56.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.71 -30.22 70.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.413 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 5.6 t80 -58.47 -54.91 41.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 93.7 p -77.26 -38.18 51.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.79 71.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 24.0 tpp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 9.7 mtmm . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 36.51 41.64 0.57 Allowed Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.679 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -74.87 -64.28 1.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -175.228 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.566 ' CE1' ' OH ' ' A' ' 55' ' ' TYR . 24.1 m-70 -80.48 -13.82 58.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HG2' ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.64 -48.06 10.5 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -178.58 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.411 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -126.84 21.38 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.569 HG21 ' CZ3' ' A' ' 6' ' ' TRP . 71.6 t -109.51 -50.5 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p 48.67 -179.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.63 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -74.89 -52.51 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.608 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.26 -56.12 25.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.783 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -29.74 67.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.057 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -68.84 -51.62 38.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -59.5 -30.72 68.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -64.6 -30.75 71.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.758 HD21 ' CE1' ' A' ' 65' ' ' TYR . 11.9 mt -81.36 -29.25 34.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.446 HG13 ' HG2' ' A' ' 51' ' ' GLU . 40.9 t -58.44 -30.57 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.078 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -61.28 -28.55 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.85 -42.48 84.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.4 mm? -62.11 -34.55 76.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.764 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.9 t -74.07 -29.86 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.83 -28.29 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.824 ' HB2' HD12 ' A' ' 72' ' ' ILE . . . -58.96 -66.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.157 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 22' ' ' LEU . 3.9 mp -62.9 -30.54 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.85 84.84 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.41 -46.21 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.613 2.209 . . . . 0.0 112.387 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 p -74.14 148.0 86.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.44 146.31 49.85 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.595 2.197 . . . . 0.0 112.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.13 92.05 3.32 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.58 -25.15 75.39 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.387 2.058 . . . . 0.0 112.18 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.23 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.16 75.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.62 -31.34 68.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.667 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -85.08 -24.25 28.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.31 146.56 47.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -73.14 -30.82 63.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.711 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.61 -37.38 81.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -30.22 61.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.81 -33.72 68.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.619 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -79.94 -30.75 39.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.776 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.711 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -58.77 -44.93 90.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -60.29 -58.53 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.019 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.8 -39.84 71.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.674 ' CZ ' HD23 ' B' ' 95' ' ' LEU . 31.8 t80 -62.75 -57.54 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.764 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 22' ' ' LEU . . . -60.18 -42.1 94.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -60.15 -30.98 69.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -44.28 54.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -68.05 -54.04 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HG2' HG13 ' A' ' 19' ' ' VAL . 2.7 pp20? -50.32 -46.67 55.67 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.21 -29.3 74.05 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.374 -0.917 . . . . 0.0 110.907 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -78.31 -29.79 47.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.007 0.432 . . . . 0.0 110.17 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.546 ' HG3' HD12 ' A' ' 68' ' ' LEU . 18.1 mmt -65.4 -33.04 75.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.679 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 43.0 t80 -74.79 -22.65 58.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.164 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.27 -22.57 21.54 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 122.194 -0.316 . . . . 0.0 111.828 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.1 t -81.67 -42.07 20.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.995 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.554 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -75.29 125.37 28.83 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.444 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.54 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.5 p-10 -88.38 2.54 52.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.31 162.44 37.73 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.566 ' HG3' HG22 ' A' ' 10' ' ' VAL . 3.9 ttp180 -59.62 -49.58 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.48 -48.68 47.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -64.81 -36.08 83.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.712 ' HA ' HD22 ' A' ' 67' ' ' LEU . 28.1 t80 -61.66 -39.37 91.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.781 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.758 ' CE1' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -77.71 -30.11 51.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -80.81 -57.11 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.903 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.62 -27.64 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.903 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.3 tp -78.81 -41.45 30.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.16 90.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.094 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -58.8 -43.06 90.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 75' ' ' ILE . 5.0 mtpt -64.14 -55.74 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.824 HD12 ' HB2' ' A' ' 25' ' ' ALA . 32.2 mm -64.17 -29.21 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.69 -52.55 36.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.818 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -45.53 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.489 HD12 ' O ' ' A' ' 71' ' ' LYS . 16.3 mt -63.26 -29.94 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.17 -54.74 43.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.72 -29.86 70.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -26.26 62.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.015 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.766 ' HA ' HD11 ' B' ' 99' ' ' LEU . 2.3 tt -54.66 -52.67 61.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.029 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -30.76 46.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.2 -28.05 69.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.649 ' CG ' HD12 ' B' ' 99' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.008 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.733 0.301 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 46' ' ' TYR . 0.5 OUTLIER -55.13 -33.05 62.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.859 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 28.4 p -78.02 -35.44 49.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -78.72 -31.32 46.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.519 ' HB3' HG21 ' A' ' 26' ' ' ILE . 6.4 mt -78.4 -44.37 25.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.766 HD11 ' HA ' ' A' ' 79' ' ' LEU . 2.5 tm? -59.29 -38.55 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -66.11 -36.53 83.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.433 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 16.0 t80 -60.17 -34.34 73.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.4 t -86.19 -34.99 20.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.62 -31.47 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.628 ' O ' ' O ' ' A' ' 59' ' ' ASN . 2.9 mtmm . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 119.691 -0.195 . . . . 0.0 111.339 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 32.03 45.91 0.2 Allowed Glycine 0 C--N 1.347 1.14 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -81.02 -64.31 1.22 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -175.868 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -74.25 -12.09 60.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.43 -53.39 5.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -177.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HB3' ' HG3' ' A' ' 61' ' ' ARG . 48.4 t-80 -138.48 34.09 2.26 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.824 HG22 ' HG2' ' A' ' 61' ' ' ARG . 5.1 t -100.71 -62.29 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.806 177.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p 55.44 169.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.315 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -74.33 -36.13 63.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.63 -56.02 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.54 -37.07 85.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.666 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.8 tmm_? -65.45 -47.59 75.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 t -58.26 -30.79 66.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -73.45 -29.86 62.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 64' ' ' TYR . 1.4 mt -81.84 -30.33 32.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 15' ' ' ARG . 49.1 t -57.57 -31.42 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -71.99 -29.24 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.823 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -57.84 -41.49 82.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.719 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -36.25 78.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.2 t -77.4 -30.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -73.33 -31.43 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.808 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -59.34 -47.12 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.957 HD12 HD21 ' A' ' 43' ' ' LEU . 30.6 mt -74.4 -38.59 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -132.43 73.02 77.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.42 -62.72 0.24 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.612 2.208 . . . . 0.0 112.343 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 p -59.91 148.12 77.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.32 146.45 50.79 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.518 2.145 . . . . 0.0 112.317 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.7 t70 -150.92 91.9 3.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.59 -25.88 75.66 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.413 2.075 . . . . 0.0 112.149 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.32 40.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.83 -33.4 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.96 -31.77 70.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.98 -25.34 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.08 142.56 51.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.8 -29.74 68.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.84 -39.77 82.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.942 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 42.1 tpp -59.5 -29.11 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -56.68 -31.62 64.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.91 -32.99 40.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.812 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.957 HD21 HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -60.8 -43.15 98.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.478 HG12 ' CD ' ' A' ' 48' ' ' LYS . 23.9 t -60.3 -58.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.6 73.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.682 ' O ' HG23 ' A' ' 50' ' ' VAL . 76.1 t80 -60.13 -56.83 16.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.785 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.04 -29.4 70.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CD ' HG12 ' A' ' 44' ' ' VAL . 7.5 mtpm? -65.69 -39.0 90.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -80.83 -36.42 31.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.055 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.0 t -75.61 -46.0 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.391 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -48.47 -47.11 38.7 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.759 0.314 . . . . 0.0 110.377 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.25 -32.63 83.33 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.42 -0.895 . . . . 0.0 110.955 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.5 -28.11 46.28 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.027 0.441 . . . . 0.0 110.359 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -73.59 -35.45 65.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.827 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 4.2 t80 -67.52 -54.85 16.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.59 -30.49 65.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.834 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.52 -27.83 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.401 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.467 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -94.92 127.46 40.98 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.877 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.628 ' O ' ' O ' ' A' ' 4' ' ' LYS . 3.3 m-20 -77.83 -5.24 50.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 176.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.452 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 52.9 m -153.99 178.7 9.65 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.172 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.824 ' HG2' HG22 ' A' ' 10' ' ' VAL . 1.1 tmm_? -67.19 -60.3 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.82 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -46.78 -48.56 20.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.58 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.88 -34.86 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.091 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.762 ' CE2' HD13 ' A' ' 18' ' ' LEU . 28.6 t80 -67.0 -29.68 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.062 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -43.27 31.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.144 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -79.36 -30.09 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.89 -54.7 8.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.595 HD22 HD11 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -58.58 -36.54 74.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.65 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.203 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -43.01 88.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.498 ' O ' HD12 ' A' ' 75' ' ' ILE . 14.3 mmmm -62.61 -55.84 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.721 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.808 HG23 ' HB2' ' A' ' 25' ' ' ALA . 7.3 mt -63.19 -31.58 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.715 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -73.18 -37.73 66.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.703 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -78.5 -45.31 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 71' ' ' LYS . 7.8 mt -65.81 -32.99 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.11 -54.03 50.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -31.05 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.8 -31.56 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.568 ' HA ' HD21 ' B' ' 99' ' ' LEU . 4.1 tt -59.12 -31.4 68.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.34 -31.28 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.81 -31.26 70.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.956 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.801 0.334 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.54 -36.81 67.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.842 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 81.1 p -78.15 -31.19 49.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.756 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.39 -36.06 77.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -79.99 -31.26 39.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.568 HD21 ' HA ' ' A' ' 79' ' ' LEU . 9.0 tp -61.37 -48.38 81.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.03 -32.67 71.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.43 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 45.3 t80 -60.58 -42.4 96.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -72.38 -31.79 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.86 -38.44 57.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 12.5 mmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HD3' ' HB2' ' A' ' 59' ' ' ASN . 0.9 OUTLIER . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.384 0.135 . . . . 0.0 111.253 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.29 63.88 2.12 Favored Glycine 0 C--N 1.334 0.422 0 N-CA-C 107.144 -2.382 . . . . 0.0 107.144 175.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.686 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.01 -64.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -174.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 11.1 t60 -69.22 -13.62 62.51 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.434 -177.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.91 -53.17 7.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.555 ' O ' HD13 ' A' ' 14' ' ' LEU . 16.0 t60 -122.42 24.67 9.21 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.835 HG22 ' CZ ' ' A' ' 61' ' ' ARG . 97.1 t -108.82 -56.08 4.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.438 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 1.0 OUTLIER 46.34 -174.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.621 178.624 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.05 -47.45 28.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.454 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -56.33 20.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.813 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -65.8 -42.6 90.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.309 . . . . 0.0 110.972 -179.562 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.556 ' HB2' HG12 ' A' ' 10' ' ' VAL . 71.4 ttt180 -60.04 -50.98 71.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.818 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -58.32 -39.51 79.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -59.25 -28.89 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.992 HD23 HD13 ' A' ' 68' ' ' LEU . 3.6 mp -82.38 -29.75 30.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.64 -36.67 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -62.14 -31.28 71.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.723 ' HG2' HD13 ' A' ' 72' ' ' ILE . 6.1 tttt -60.09 -44.65 94.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -60.67 -38.02 83.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.5 t -65.79 -29.76 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG3' ' HA ' ' A' ' 28' ' ' PRO . 3.1 tt0 -73.32 -29.96 63.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.522 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -57.16 -54.12 50.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 43' ' ' LEU . 30.8 mt -74.27 -41.67 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 29' ' ' THR . 6.9 t80 -130.9 82.76 63.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.726 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 78.2 Cg_exo -50.57 -62.6 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.707 2.272 . . . . 0.0 112.556 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.408 ' O ' ' CZ ' ' A' ' 27' ' ' PHE . 1.1 p -81.43 140.41 48.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -77.97 179.23 6.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.562 2.175 . . . . 0.0 112.321 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -178.01 130.32 0.3 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.33 -29.8 20.59 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.393 2.062 . . . . 0.0 112.23 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.77 -30.98 40.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.06 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.38 -30.45 64.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -88.18 -24.04 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.38 161.53 4.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -29.19 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.125 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.549 ' CD ' HD23 ' B' ' 98' ' ' LEU . 5.8 tmm_? -56.16 -47.11 78.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.028 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.438 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -57.99 -32.18 67.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.34 -40.26 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.564 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -80.03 -30.02 39.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.741 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -59.93 -43.79 94.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 40' ' ' MET . 33.2 t -61.94 -59.34 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.62 95.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.735 ' O ' HG23 ' A' ' 50' ' ' VAL . 31.2 t80 -59.79 -51.74 68.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.42 -28.33 69.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -69.14 -37.5 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.053 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -80.64 -36.1 33.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.039 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 46' ' ' TYR . 23.5 t -75.43 -46.15 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.208 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -49.67 -46.15 49.51 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.53 -31.45 77.68 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.417 -0.897 . . . . 0.0 110.87 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.43 -29.3 46.97 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.992 0.425 . . . . 0.0 110.165 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.4 mmt -77.19 -50.18 13.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.686 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 24.6 t80 -61.93 -23.11 66.15 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.217 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.28 -27.26 20.68 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 t -54.38 -24.37 19.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -99.01 137.15 37.95 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.506 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.471 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 5.7 p-10 -102.87 2.72 35.7 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 m -145.32 176.88 9.23 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.614 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.835 ' CZ ' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.37 -59.6 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.175 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.63 -29.69 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.513 ' HG3' HD23 ' A' ' 67' ' ' LEU . 18.0 tp10 -68.71 -36.99 79.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CE2' HD22 ' A' ' 18' ' ' LEU . 12.0 t80 -68.97 -38.37 79.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.993 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.453 ' OH ' HD21 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -71.12 -29.77 65.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -80.88 -57.11 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 58' ' ' ALA . 4.0 pp -59.18 -29.8 67.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.992 HD13 HD23 ' A' ' 18' ' ' LEU . 4.5 tt -69.07 -52.08 32.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.24 -38.39 73.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.73 -38.6 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.802 ' HE3' HD11 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -69.27 -55.86 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.723 HD13 ' HG2' ' A' ' 21' ' ' LYS . 3.9 mt -63.98 -31.34 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -64.83 -42.89 94.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.708 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -76.63 -43.2 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.948 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.802 HD11 ' HE3' ' A' ' 71' ' ' LYS . 8.3 mt -66.68 -33.82 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -61.03 -41.15 96.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -77.54 -29.56 52.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.7 -31.04 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.575 ' HA ' HD21 ' B' ' 99' ' ' LEU . 1.1 tt -59.28 -31.31 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -70.52 -31.16 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -60.18 -34.01 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.45 ' HG3' HD23 ' B' ' 99' ' ' LEU . 12.1 mmtt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.76 0.314 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.73 HD21 ' OH ' ' A' ' 46' ' ' TYR . 6.7 mt -55.67 -36.57 67.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.81 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 30.1 t -78.07 -31.13 50.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.01 -40.99 95.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.549 HD23 ' CD ' ' A' ' 39' ' ' ARG . 1.7 mp -76.08 -42.51 47.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' A' ' 79' ' ' LEU . 6.0 tp -58.94 -30.16 67.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -62.01 -46.81 87.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.82 -42.51 93.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 72.8 m -75.22 -39.85 59.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.52 -34.29 72.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.533 ' O ' ' C ' ' A' ' 5' ' ' GLY . 3.9 mtmm . . . . . 0 N--CA 1.448 -0.546 0 CA-C-O 119.67 -0.205 . . . . 0.0 111.498 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 33.22 44.05 0.24 Allowed Glycine 0 C--N 1.347 1.142 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.705 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -80.25 -64.16 1.25 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.551 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -74.78 -12.1 60.32 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.29 -52.8 5.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -177.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -137.85 36.33 2.39 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -179.013 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 6' ' ' TRP . 1.7 t -117.69 -52.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p 50.62 175.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.604 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -74.71 -41.51 60.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.266 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -57.69 -56.27 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.497 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -33.37 73.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.806 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.884 ' O ' HG23 ' A' ' 19' ' ' VAL . 24.8 ttm180 -60.46 -32.24 71.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 -37.57 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.786 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -65.24 -37.31 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.74 HD13 ' CE2' ' A' ' 64' ' ' TYR . 8.3 mt -69.74 -31.98 70.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.796 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 15' ' ' ARG . 44.3 t -63.72 -29.84 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.05 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -69.56 -32.08 70.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.741 ' HE3' HD23 ' A' ' 68' ' ' LEU . 9.8 mtpp -59.44 -43.87 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.808 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -32.11 70.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.6 t -77.31 -31.04 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -72.73 -34.59 67.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.792 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.0 -47.5 82.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.981 HG23 HD12 ' B' ' 99' ' ' LEU . 33.9 mt -71.54 -30.57 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.011 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' B' ' 102' ' ' SER . 0.3 OUTLIER -148.18 85.06 6.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.61 -46.04 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.562 2.175 . . . . 0.0 112.363 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.7 p -67.66 146.73 98.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.34 146.45 40.09 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.605 2.204 . . . . 0.0 112.284 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.421 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 3.9 t0 -151.25 89.87 4.16 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.753 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 28.0 Cg_endo -62.73 -25.81 75.06 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.432 2.088 . . . . 0.0 112.165 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -24.45 41.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . . . -71.72 -36.77 70.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.113 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.28 -31.68 65.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -87.04 -24.97 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.86 137.81 49.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -59.39 -27.56 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.06 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.477 ' NH2' HD12 ' A' ' 43' ' ' LEU . 2.6 tmm_? -52.01 -51.19 58.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -26.47 60.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.3 -33.23 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -79.9 -31.12 40.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.717 HD21 HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -59.74 -52.36 65.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.935 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.5 -58.95 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.86 67.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.606 ' O ' HG23 ' A' ' 50' ' ' VAL . 34.3 t80 -61.79 -47.88 83.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.742 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.23 63.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -35.69 80.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.109 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -80.85 -36.23 31.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.027 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 46' ' ' TYR . 21.4 t -75.55 -46.0 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.88 -46.79 43.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.785 0.326 . . . . 0.0 110.237 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.8 -32.04 80.36 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.298 -0.953 . . . . 0.0 110.859 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.47 -27.01 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.007 0.432 . . . . 0.0 110.272 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 31.4 mmt -78.15 -39.23 41.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.622 ' O ' ' HZ2' ' A' ' 6' ' ' TRP . 4.9 t80 -68.4 -54.76 15.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.735 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -48.95 -36.28 17.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.3 t -51.81 -54.34 29.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 111.394 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 64' ' ' TYR . . . -64.29 128.38 35.55 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.219 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.53 ' O ' ' O ' ' A' ' 4' ' ' LYS . 1.4 p30 -84.13 -1.99 56.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.43 -172.71 4.32 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.786 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HG3' HG22 ' A' ' 10' ' ' VAL . 10.1 ttp85 -72.96 -55.43 6.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.7 -53.15 51.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.483 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.52 -25.31 16.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.245 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.74 ' CE2' HD13 ' A' ' 18' ' ' LEU . 10.6 t80 -79.03 -44.8 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.433 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -66.12 -27.18 67.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.34 -57.07 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.11 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 68' ' ' LEU . 3.9 pp -58.9 -30.54 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.101 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.741 HD23 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -64.51 -36.25 83.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.65 99.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.96 -45.46 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.691 ' HD3' HD11 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -63.04 -55.87 21.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.792 HG23 ' HB2' ' A' ' 25' ' ' ALA . 4.2 mt -60.9 -30.77 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -75.16 -57.25 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -57.94 -48.2 80.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.691 HD11 ' HD3' ' A' ' 71' ' ' LYS . 17.9 mt -62.93 -29.92 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.176 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -66.32 -50.7 62.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -77.52 -31.13 53.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -61.28 -30.83 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.677 ' HA ' HD23 ' B' ' 99' ' ' LEU . 7.9 tp -59.21 -31.1 68.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.23 -31.0 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.06 -32.52 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.756 0.312 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.529 HD23 ' C ' ' B' ' 95' ' ' LEU . 8.6 tt -55.29 -33.0 62.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.829 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.6 m -78.16 -34.51 49.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.67 -31.01 46.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.717 HD21 ' HA ' ' A' ' 43' ' ' LEU . 12.0 tp -74.66 -34.84 62.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.981 HD12 HG23 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -80.28 -29.16 38.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.012 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.52 -48.81 78.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.41 ' CD2' ' HG3' ' A' ' 39' ' ' ARG . 22.3 t80 -59.57 -31.31 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' SER . . . . . 0.41 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 1.2 m -81.04 -31.5 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.43 -31.0 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 120.373 0.13 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.82 64.5 1.89 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 107.153 -2.379 . . . . 0.0 107.153 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.679 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.7 -65.29 1.03 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 -174.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.45 -13.06 25.93 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.001 -0.999 . . . . 0.0 113.48 -177.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.38 -52.59 7.58 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -177.659 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.401 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 44.7 t-80 -133.94 37.39 3.24 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.679 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -112.98 -46.19 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.788 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p 47.55 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.711 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -52.58 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.579 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.66 -56.29 22.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.761 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.6 68.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 111.024 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 19' ' ' VAL . 78.1 ttt180 -69.06 -52.18 31.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.705 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -60.44 -38.59 84.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -59.59 -31.42 69.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.831 HD13 ' CE2' ' A' ' 64' ' ' TYR . 5.9 mt -77.28 -33.16 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.782 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 15' ' ' ARG . 39.3 t -59.74 -31.23 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.456 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 1.1 t-80 -65.66 -28.94 69.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.808 ' CB ' HD21 ' A' ' 68' ' ' LEU . 20.5 mmtt -57.77 -45.33 86.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.446 HD11 ' HG3' ' A' ' 54' ' ' MET . 2.5 mp -60.28 -32.12 70.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.763 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.8 t -73.57 -30.25 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -71.43 -31.28 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB1' ' HB ' ' A' ' 75' ' ' ILE . . . -58.12 -38.14 75.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 1.086 HD12 HD21 ' A' ' 43' ' ' LEU . 28.4 mt -87.53 -32.02 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 29' ' ' THR . 9.9 t80 -141.48 78.68 18.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.767 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.8 -62.17 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.686 2.258 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.408 ' O ' ' CZ ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -69.24 136.36 89.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.71 175.5 11.29 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.496 2.13 . . . . 0.0 112.27 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -177.17 130.29 0.34 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 -27.17 24.46 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.482 2.121 . . . . 0.0 112.293 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.62 -29.58 41.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.27 -47.96 83.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.54 -27.82 58.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.74 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -93.26 -22.24 19.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 151.72 15.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.855 0.359 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -73.11 -29.69 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.597 ' NH1' HD12 ' A' ' 43' ' ' LEU . 2.6 ppt_? -62.09 -34.5 76.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.953 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.468 ' HE3' HD13 ' A' ' 43' ' ' LEU . 1.2 tpt -59.95 -29.48 68.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -56.74 -34.0 67.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -79.97 -31.19 39.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.086 HD21 HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -63.62 -42.67 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 40' ' ' MET . 21.8 t -59.34 -59.38 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.35 76.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.498 ' O ' HG23 ' A' ' 50' ' ' VAL . 33.9 t80 -67.37 -51.8 47.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.53 -30.98 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -64.61 -32.18 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -40.93 24.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.3 t -75.54 -44.77 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.88 -42.84 48.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.887 0.375 . . . . 0.0 110.269 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.76 81.53 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.446 -0.883 . . . . 0.0 110.917 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -78.51 -28.39 46.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.957 0.408 . . . . 0.0 110.245 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.446 ' HG3' HD11 ' A' ' 22' ' ' LEU . 26.9 mmt -70.42 -49.74 45.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.547 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 9.2 t80 -57.31 -54.11 50.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.13 -39.35 63.42 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.695 ' HB3' HD22 ' A' ' 67' ' ' LEU . 36.1 t -47.07 -29.05 1.96 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 111.394 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -93.03 134.98 34.62 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.621 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.456 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 8.5 p-10 -97.24 0.8 48.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m -148.42 -178.75 6.49 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.708 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.544 ' HG2' HG22 ' A' ' 10' ' ' VAL . 3.5 tmm_? -74.41 -55.76 5.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -55.86 -42.04 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -59.06 -31.3 68.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.831 ' CE2' HD13 ' A' ' 18' ' ' LEU . 9.4 t80 -76.02 -30.47 58.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.435 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -76.68 -28.8 56.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.983 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -80.9 -51.96 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.778 HD12 ' N ' ' A' ' 68' ' ' LEU . 4.4 pp -57.77 -29.93 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.064 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.808 HD21 ' CB ' ' A' ' 21' ' ' LYS . 4.8 tt -68.91 -53.08 23.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.533 ' HA ' HG22 ' A' ' 72' ' ' ILE . . . -61.86 -22.46 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.83 -37.93 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 110.407 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.663 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -82.05 -41.74 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.685 HD12 ' HB3' ' A' ' 21' ' ' LYS . 8.3 tt -58.68 -40.36 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 110.986 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.17 -32.18 61.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.68 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -70.18 -56.25 7.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.663 HD12 ' O ' ' A' ' 71' ' ' LYS . 3.5 mt -63.35 -29.97 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.08 -31.22 68.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -75.83 -31.14 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -61.26 -31.48 71.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.646 ' HG ' HD11 ' B' ' 99' ' ' LEU . 8.3 mt -59.83 -31.39 69.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.22 -31.6 72.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.06 -31.38 72.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.494 ' HG2' HD23 ' B' ' 99' ' ' LEU . 8.6 mmtm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.765 0.317 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.48 -35.53 65.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 36.5 m -78.05 -31.36 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.809 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.47 -43.04 77.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.71 -35.61 72.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.646 HD11 ' HG ' ' A' ' 79' ' ' LEU . 7.6 tp -69.74 -33.18 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.32 -36.15 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.456 ' CD2' ' NE ' ' A' ' 39' ' ' ARG . 83.0 t80 -63.85 -47.41 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 70.8 m -67.66 -37.62 82.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.67 -40.35 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 15.3 ttm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 111.342 0.127 . . . . 0.0 111.342 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.68 60.83 2.48 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 107.34 -2.304 . . . . 0.0 107.34 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.18 -64.34 1.2 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -175.071 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.669 ' CE1' ' HH ' ' A' ' 55' ' ' TYR . 39.6 m80 -74.65 -12.88 60.55 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.459 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.81 -53.1 6.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -177.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.411 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 4.9 m170 -123.72 19.55 9.44 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 6' ' ' TRP . 87.5 t -103.1 -56.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' VAL . 1.3 p 53.71 164.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.546 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -74.87 -48.22 26.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.692 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.39 -56.27 22.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.812 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 10' ' ' VAL . 6.9 tt -63.19 -29.71 71.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.072 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.68 ' O ' HG23 ' A' ' 19' ' ' VAL . 12.0 ttm180 -65.49 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -31.5 69.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -72.12 -31.64 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.839 HD21 ' CE1' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -78.72 -30.94 46.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 15' ' ' ARG . 47.3 t -58.64 -29.57 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -72.22 -27.91 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -57.44 -46.21 83.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.421 ' CD1' HD11 ' A' ' 68' ' ' LEU . 4.0 mp -59.73 -31.83 69.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.8 t -74.13 -29.71 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -70.82 -26.78 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.859 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -56.84 -64.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.166 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.522 ' CD1' HD21 ' A' ' 43' ' ' LEU . 5.1 mt -63.13 -30.77 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.69 85.04 17.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.51 -46.23 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.58 2.186 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.19 148.4 86.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.18 146.54 51.79 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.548 2.165 . . . . 0.0 112.322 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 32' ' ' PRO . 34.0 t0 -152.88 89.83 3.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 25.7 Cg_endo -62.07 -26.21 78.07 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.471 2.114 . . . . 0.0 112.135 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.59 -26.06 41.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.059 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.12 77.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.08 -31.4 67.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.744 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -85.43 -24.11 27.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.83 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.67 145.22 55.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -30.0 66.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.686 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -59.34 -38.94 81.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -30.03 64.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -57.3 -32.84 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.803 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -79.95 -30.98 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.759 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.686 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -59.65 -47.04 87.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.3 t -59.79 -58.98 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.27 67.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.621 ' OH ' HD21 ' B' ' 95' ' ' LEU . 20.2 t80 -69.12 -56.47 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.34 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -60.62 -30.83 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -42.22 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.707 HG12 ' SD ' ' A' ' 54' ' ' MET . 22.6 t -70.8 -53.35 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.91 -46.72 52.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.858 0.361 . . . . 0.0 110.122 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.9 -29.73 73.25 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.34 -0.933 . . . . 0.0 110.915 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.2 -29.42 57.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.035 0.445 . . . . 0.0 110.098 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.707 ' SD ' HG12 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -65.88 -31.65 72.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.693 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.669 ' HH ' ' CE1' ' A' ' 7' ' ' HIS . 27.6 t80 -78.4 -23.24 46.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.036 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.45 -25.43 20.34 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.74 0.305 . . . . 0.0 111.409 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.401 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 1.2 m -78.7 -34.96 45.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.011 0.434 . . . . 0.0 110.154 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.529 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -86.6 128.31 34.98 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.799 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.476 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 12.6 p30 -97.61 4.91 50.07 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -152.28 157.2 41.05 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.732 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' HD3' ' CB ' ' A' ' 9' ' ' HIS . 5.1 ttt85 -58.13 -50.83 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.785 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -50.06 -48.9 52.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.06 -36.86 85.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.558 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.649 ' HA ' HD22 ' A' ' 67' ' ' LEU . 28.0 t80 -61.24 -41.15 96.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.829 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.839 ' CE1' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.69 -29.29 51.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.038 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 39.4 m170 -80.67 -57.08 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.896 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.24 -27.75 62.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.049 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.896 ' N ' HD23 ' A' ' 67' ' ' LEU . 10.1 tt -74.12 -31.0 62.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.59 78.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -40.73 84.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -65.6 -55.8 15.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.765 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.859 HG23 ' HB2' ' A' ' 25' ' ' ALA . 47.5 mt -64.21 -31.73 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -72.3 -48.58 41.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.783 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -63.18 -45.26 92.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 71' ' ' LYS . 11.5 mt -67.64 -34.32 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -35.72 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -31.65 63.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.85 -30.89 71.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.482 ' HA ' HD21 ' B' ' 99' ' ' LEU . 0.7 OUTLIER -59.99 -31.68 70.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.954 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -62.62 -33.02 74.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.04 -31.62 72.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 . . . . . 0 N--CA 1.46 0.046 0 CA-C-O 120.748 0.309 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.621 HD21 ' OH ' ' A' ' 46' ' ' TYR . 2.1 mt -55.81 -36.61 67.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.799 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -31.33 50.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.8 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -44.44 69.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.448 ' HB3' HG21 ' A' ' 26' ' ' ILE . 34.6 mt -60.79 -36.88 80.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' ' 79' ' ' LEU . 10.2 tp -80.27 -32.7 38.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -60.72 -45.07 95.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -60.13 -34.71 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.9 m -76.31 -31.53 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.63 -30.69 68.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.4 mtmm . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.724 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 32.25 45.23 0.19 Allowed Glycine 0 C--N 1.347 1.165 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.706 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.27 -64.18 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -175.261 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.415 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 62.5 t-80 -75.48 -13.33 60.37 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -52.67 7.94 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.461 ' O ' HD22 ' A' ' 14' ' ' LEU . 7.7 t60 -127.37 38.49 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 6' ' ' TRP . 47.8 t -121.12 -56.74 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.415 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 0.8 OUTLIER 44.44 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.935 178.26 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -75.16 -47.63 27.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.516 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.88 -56.37 23.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.965 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.839 HD23 ' NH2' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -62.26 -29.74 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.972 -179.652 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -69.65 -53.43 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.706 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -56.53 -37.73 70.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -62.13 -29.81 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.781 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' A' ' 65' ' ' TYR . 9.6 mt -80.99 -29.91 35.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.55 ' O ' HG23 ' A' ' 23' ' ' VAL . 56.8 t -56.06 -40.91 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -60.59 -48.6 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.621 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -59.4 -32.96 70.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.5 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.774 HD23 ' HB1' ' A' ' 47' ' ' ALA . 16.2 tp -68.15 -34.34 76.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.423 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 19' ' ' VAL . 44.3 t -77.32 -29.01 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.93 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -25.58 66.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.94 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -52.51 -45.4 66.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.144 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.562 HD13 HD21 ' A' ' 43' ' ' LEU . 4.3 mp -87.61 -31.39 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -134.78 76.22 60.38 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.757 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.12 -63.24 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.665 2.243 . . . . 0.0 112.598 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 p -69.53 153.24 95.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.994 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.63 160.83 41.39 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.655 2.236 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 3.9 t70 -163.52 88.52 1.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 23.0 Cg_endo -61.37 -25.82 80.64 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.428 2.086 . . . . 0.0 112.182 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.65 -24.42 41.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.013 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.98 81.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.42 -30.78 63.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -85.48 -24.78 27.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.858 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.66 133.81 52.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -60.24 -29.38 68.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.681 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.39 -38.52 77.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -29.84 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.23 -35.53 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.74 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -79.89 -30.33 40.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.856 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.681 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -59.04 -45.85 89.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 t -59.25 -57.81 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.48 -33.02 52.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CZ ' ' CD2' ' B' ' 95' ' ' LEU . 55.5 t80 -67.41 -54.27 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.688 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.774 ' HB1' HD23 ' A' ' 22' ' ' LEU . . . -61.43 -30.16 70.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -69.13 -32.94 72.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -75.07 -39.57 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.559 HG11 ' CE ' ' A' ' 71' ' ' LYS . 13.1 t -74.32 -51.25 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.564 ' HB3' HD22 ' A' ' 22' ' ' LEU . 15.9 pt-20 -50.19 -43.63 52.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.888 0.375 . . . . 0.0 110.0 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.21 -31.91 82.35 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.77 -31.86 57.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.111 0.481 . . . . 0.0 110.013 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.3 mmt -70.99 -31.74 68.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.507 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.706 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 41.0 t80 -73.14 -22.54 60.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.987 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -90.32 -21.93 21.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.26 -42.41 25.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.87 0.367 . . . . 0.0 111.055 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -75.62 126.05 30.24 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.566 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.524 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 60.0 m-20 -91.82 5.65 49.08 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -161.94 164.33 28.52 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.744 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.839 ' NH2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.73 -53.78 53.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.926 0.393 . . . . 0.0 110.772 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -46.45 -52.42 13.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.451 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.416 ' HB3' ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -57.44 -45.75 84.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.897 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.527 ' CE2' HD13 ' A' ' 18' ' ' LEU . 36.1 t80 -58.84 -35.12 72.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CE1' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.77 -29.89 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.269 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -80.87 -57.18 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.48 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 58' ' ' ALA . 4.1 pp -59.85 -31.64 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.271 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.61 -32.93 74.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.75 -27.68 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.324 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -53.89 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.228 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.559 ' CE ' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.49 -44.13 89.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.151 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.94 HG23 ' HB2' ' A' ' 25' ' ' ALA . 43.8 mt -66.66 -32.41 57.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.731 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -70.65 -50.05 40.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.641 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.88 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 71' ' ' LYS . 15.0 mt -66.97 -29.84 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.111 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -58.34 -31.17 67.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -77.37 -30.95 54.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.38 -29.92 69.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.704 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.9 tt -57.75 -34.29 69.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.75 -31.32 70.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.9 -31.23 70.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.764 ' HG2' HD23 ' B' ' 99' ' ' LEU . 5.5 mmtm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' GLU . . . . . 0.44 ' O ' HD12 ' B' ' 98' ' ' LEU . 42.7 mm-40 . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.831 0.348 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.655 HD13 ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -55.41 -37.66 67.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -30.75 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -66.3 -38.69 88.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.44 HD12 ' O ' ' B' ' 94' ' ' GLU . 5.4 mp -80.04 -31.94 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.764 HD23 ' HG2' ' A' ' 82' ' ' LYS . 2.5 tp -66.44 -29.9 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.15 -52.46 65.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -59.72 -31.16 69.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -75.61 -26.52 57.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.78 -27.43 41.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.268 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 42.8 mtt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.942 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.247 0.07 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.423 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.67 64.3 1.84 Allowed Glycine 0 C--N 1.332 0.355 0 N-CA-C 107.095 -2.402 . . . . 0.0 107.095 175.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.716 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.63 -65.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -174.828 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -62.72 -12.82 26.27 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.055 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 1.1 pp20? -43.93 -53.21 6.34 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -134.4 32.45 3.37 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.716 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -107.07 -49.22 8.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.692 177.743 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.6 p 53.86 169.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.344 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -74.55 -31.29 62.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.13 -56.22 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.191 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -35.73 79.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.937 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 19' ' ' VAL . 33.4 ttm180 -60.77 -44.15 97.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.98 -46.49 89.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -59.29 -30.83 68.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 68' ' ' LEU . 81.8 mt -77.09 -29.94 55.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 15' ' ' ARG . 39.1 t -67.01 -29.63 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -67.98 -29.04 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.542 ' HB3' HD11 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -57.54 -45.41 85.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.89 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.428 HD21 ' SD ' ' A' ' 54' ' ' MET . 3.0 mp -59.93 -32.3 70.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.782 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.38 -30.05 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.6 -31.46 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.696 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -57.41 -48.94 77.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.441 HD12 HD21 ' A' ' 43' ' ' LEU . 30.1 mt -71.4 -50.27 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -130.26 78.32 74.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.1 -62.22 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.627 2.218 . . . . 0.0 112.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 p -64.61 153.15 88.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.41 148.04 53.78 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.576 2.184 . . . . 0.0 112.305 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 18.8 p30 -140.34 86.55 12.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.4 -26.7 81.7 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.455 2.103 . . . . 0.0 112.029 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -25.45 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.57 -31.89 73.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.56 -31.11 69.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -87.09 -26.38 23.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.08 146.9 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.13 -27.75 61.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HD3' ' CD2' ' B' ' 101' ' ' PHE . 0.2 OUTLIER -57.25 -46.85 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.036 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -30.45 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -30.83 65.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -79.95 -31.58 39.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.441 HD21 HD12 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -58.34 -41.87 85.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.2 t -59.95 -58.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.97 91.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.712 ' O ' HG23 ' A' ' 50' ' ' VAL . 57.0 t80 -60.66 -53.16 60.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -28.25 69.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -70.42 -36.19 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -80.74 -34.37 34.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.063 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 46' ' ' TYR . 23.6 t -75.52 -47.42 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.285 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -49.04 -46.38 44.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.792 0.33 . . . . 0.0 110.235 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.58 -31.15 78.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.451 -0.881 . . . . 0.0 110.926 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.4 -28.93 47.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.976 0.417 . . . . 0.0 110.258 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.563 ' HE1' ' HE2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -70.68 -48.92 52.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.837 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 8.9 t80 -59.6 -54.05 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.814 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.63 -39.52 61.82 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.454 ' HB3' HD22 ' A' ' 67' ' ' LEU . 42.7 t -46.88 -29.4 1.98 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 111.271 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.528 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -92.35 135.77 33.75 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.659 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.465 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.5 p-10 -94.45 -0.09 54.99 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.457 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -150.52 175.33 12.0 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.333 179.741 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.654 ' HG3' HG22 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -72.81 -44.46 61.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.0 -49.41 76.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.994 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.24 -30.6 68.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.565 ' CE2' HD13 ' A' ' 18' ' ' LEU . 7.8 t80 -71.1 -31.77 68.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -29.91 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -75.26 -52.62 10.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 68' ' ' LEU . 4.3 pp -58.5 -29.41 66.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -65.82 -44.12 86.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.919 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.42 92.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.44 -41.55 85.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.563 ' HE2' ' HE1' ' A' ' 54' ' ' MET . 8.2 mmmt -66.33 -55.8 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.763 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.696 HG23 ' HB2' ' A' ' 25' ' ' ALA . 4.6 mt -63.03 -31.56 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.745 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -71.54 -51.16 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.747 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -46.18 86.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 71' ' ' LYS . 11.5 mt -67.14 -31.76 54.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -59.43 -52.57 65.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -63.65 -31.37 72.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.37 -30.71 71.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.7 -44.33 93.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.19 -31.64 70.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.69 -31.51 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.774 0.321 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.7 tp -55.86 -34.67 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.871 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.6 m -78.11 -33.8 50.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.81 -31.25 45.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.27 -30.64 69.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.1 mt -78.78 -30.88 45.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -59.33 -32.78 70.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.415 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 11.0 t80 -59.86 -48.56 81.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 59.9 p -66.17 -36.81 84.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.51 93.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 34.5 mtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.287 0.089 . . . . 0.0 111.047 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.85 64.65 1.89 Allowed Glycine 0 C--N 1.331 0.299 0 N-CA-C 107.191 -2.364 . . . . 0.0 107.191 175.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.693 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.79 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.021 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -62.11 -13.16 23.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.988 -1.005 . . . . 0.0 113.494 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.37 -50.29 9.22 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -177.77 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -131.69 34.26 3.92 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.693 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -115.89 -41.56 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.858 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' VAL . 4.4 p 45.79 179.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.022 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -75.0 -46.92 31.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.532 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -72.76 -56.38 5.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.019 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -55.41 -29.54 58.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.113 -179.621 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -69.95 -35.24 74.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.716 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -33.92 72.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -57.76 -30.65 65.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.787 HD13 ' CE2' ' A' ' 64' ' ' TYR . 4.1 mt -80.15 -26.52 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.437 HG13 ' OE1' ' A' ' 51' ' ' GLU . 40.1 t -64.65 -28.76 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -72.41 -29.65 63.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -57.54 -43.28 84.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.79 -33.64 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.38 -29.15 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -76.38 -37.34 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.782 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.45 -41.47 85.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.557 ' HB ' HD21 ' A' ' 43' ' ' LEU . 29.6 mt -72.55 -46.83 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -132.45 72.97 77.63 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.0 -63.01 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.547 2.165 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 p -60.16 139.82 91.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 155.63 17.55 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.503 2.136 . . . . 0.0 112.229 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 32.8 p-10 -155.61 75.32 5.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.27 -25.5 65.29 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.593 2.195 . . . . 0.0 112.073 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.79 -23.84 41.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HB1' ' SD ' ' A' ' 40' ' ' MET . . . -71.45 -36.07 71.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.133 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -57.07 -29.29 63.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -84.29 -25.53 29.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.51 136.26 52.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -70.75 -32.49 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.563 HH21 HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -56.24 -31.1 63.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.08 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.762 ' CE ' HD13 ' A' ' 43' ' ' LEU . 8.5 tpt -55.07 -24.49 25.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -54.9 -28.44 50.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.565 ' HB2' HD21 ' B' ' 98' ' ' LEU . 8.6 m120 -78.83 -33.75 45.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.762 HD13 ' CE ' ' A' ' 40' ' ' MET . 0.2 OUTLIER -60.63 -37.51 81.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.6 t -79.25 -58.14 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.93 -33.29 50.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.209 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.764 ' CE1' HG21 ' A' ' 50' ' ' VAL . 59.1 t80 -63.06 -52.89 61.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.778 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.53 -28.2 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -67.1 -39.19 86.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -80.79 -36.09 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.764 HG21 ' CE1' ' A' ' 46' ' ' TYR . 21.7 t -75.51 -45.79 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.453 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' OE1' HG13 ' A' ' 19' ' ' VAL . 12.2 pt-20 -49.08 -47.11 45.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.81 0.338 . . . . 0.0 110.294 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.6 77.15 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 178.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -78.5 -28.92 46.41 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.975 0.417 . . . . 0.0 110.251 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.406 ' HG2' HG12 ' A' ' 50' ' ' VAL . 33.6 mmt -77.41 -45.37 26.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.904 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.564 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -59.97 -54.29 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -41.49 62.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.8 t -46.97 -29.06 1.85 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.998 0.428 . . . . 0.0 111.4 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.507 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -93.13 134.59 35.13 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.645 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.459 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 76.1 m-20 -95.98 -0.13 51.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 176.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.02 -178.53 6.54 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.576 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.18 -51.08 16.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -46.87 79.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.069 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -58.24 -30.25 66.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.787 ' CE2' HD13 ' A' ' 18' ' ' LEU . 12.9 t80 -74.06 -37.03 64.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.461 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -75.04 -28.43 60.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -73.42 -57.04 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.641 HD12 ' N ' ' A' ' 68' ' ' LEU . 3.9 pp -57.86 -36.51 72.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.08 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.747 HD13 HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -59.73 -36.08 75.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.19 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.17 -37.96 75.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -68.5 -55.77 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 179.771 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.782 HG23 ' HB2' ' A' ' 25' ' ' ALA . 5.7 mt -63.13 -32.49 56.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.417 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 30.5 t80 -75.13 -45.72 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -67.62 -46.92 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 71' ' ' LYS . 11.3 mt -66.8 -31.42 53.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -59.68 -49.42 77.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 25.3 mtpt -77.52 -27.17 51.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.13 -40.59 70.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.23 -30.38 66.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.94 -31.48 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.02 -31.32 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.545 ' O ' HD13 ' B' ' 99' ' ' LEU . 3.0 mt -54.9 -36.05 64.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 96.9 p -78.13 -31.18 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -78.62 -31.15 46.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.565 HD21 ' HB2' ' A' ' 42' ' ' ASN . 4.1 mt -79.81 -50.53 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 95' ' ' LEU . 4.4 mp -60.44 -41.48 94.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.46 -31.23 69.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.71 -39.84 94.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' SER . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 28.5 p -74.22 -45.59 47.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.76 68.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 43.0 ttm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.5 ' HD3' ' HB2' ' A' ' 59' ' ' ASN . 1.4 mtmm . . . . . 0 N--CA 1.457 -0.08 0 N-CA-C 111.269 0.1 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.88 64.93 1.88 Allowed Glycine 0 C--N 1.332 0.345 0 N-CA-C 107.152 -2.379 . . . . 0.0 107.152 175.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.737 ' CZ2' ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -85.65 -64.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.866 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -64.19 -13.24 47.43 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.983 -177.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -44.5 -53.68 6.75 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -177.609 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.419 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 21.6 t-160 -133.35 40.68 3.15 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.619 HG22 ' HE ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -103.67 -54.74 6.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.888 177.821 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 p 55.61 167.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.3 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -74.31 -33.22 63.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.08 -56.07 25.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.624 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -63.61 -40.42 96.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 19' ' ' VAL . 38.0 ttp85 -62.24 -52.92 61.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.1 m -57.71 -29.76 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.9 -30.32 65.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.816 HD22 ' CE2' ' A' ' 64' ' ' TYR . 1.2 mp -81.27 -30.24 34.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 15' ' ' ARG . 46.7 t -57.54 -41.02 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -60.76 -27.57 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HG3' HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -56.87 -43.44 81.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.821 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.09 -39.34 89.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.5 -28.54 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.05 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -74.44 -33.95 63.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 1.055 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -59.89 -41.09 90.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.991 HD12 HD21 ' A' ' 43' ' ' LEU . 35.1 mt -81.04 -31.31 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.63 77.74 16.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.63 -62.05 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.39 147.94 94.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.47 146.61 44.84 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.517 2.145 . . . . 0.0 112.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -149.5 81.06 7.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.64 -19.06 43.52 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.591 2.194 . . . . 0.0 112.308 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.45 -26.27 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.94 -26.5 59.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.93 -29.41 42.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -96.43 -28.91 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.45 140.22 54.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -59.96 -30.08 68.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.523 ' NH2' HD12 ' A' ' 43' ' ' LEU . 2.1 tmm_? -51.19 -52.74 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -29.29 67.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.7 -32.86 63.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -79.89 -31.61 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.991 HD21 HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -63.74 -43.45 96.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.1 t -58.39 -58.81 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.81 -34.51 71.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CE2' HG21 ' A' ' 50' ' ' VAL . 79.7 t80 -64.24 -54.7 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.682 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.24 -29.7 64.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.061 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -34.56 78.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -39.08 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.57 HG12 ' HG2' ' A' ' 54' ' ' MET . 21.4 t -75.48 -43.46 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.327 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -49.7 -43.68 47.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.868 0.366 . . . . 0.0 110.215 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.19 -32.46 84.23 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.38 -29.14 47.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 0.0 110.123 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.57 ' HG2' HG12 ' A' ' 50' ' ' VAL . 30.7 mmt -79.91 -32.26 40.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.819 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.596 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 15.7 t80 -76.44 -23.93 53.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.38 -30.66 18.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.655 0.264 . . . . 0.0 111.424 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.432 ' OG ' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -49.84 -28.04 5.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.013 0.435 . . . . 0.0 110.766 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.737 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . . . -90.29 134.49 34.27 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.99 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.5 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 1.1 p-10 -104.55 5.18 33.7 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.26 173.64 13.74 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.77 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.619 ' HE ' HG22 ' A' ' 10' ' ' VAL . 1.5 tpm_? -67.91 -60.61 2.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -50.7 -42.4 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.565 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' HB3' ' HB1' ' A' ' 58' ' ' ALA . 6.7 tp10 -52.59 -48.81 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.12 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.816 ' CE2' HD22 ' A' ' 18' ' ' LEU . 24.3 t80 -55.75 -29.12 59.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.78 -55.72 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.199 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -49.03 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.432 HD11 ' OG ' ' A' ' 57' ' ' SER . 6.0 tt -53.8 -57.67 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.328 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.721 HD13 HD23 ' A' ' 18' ' ' LEU . 7.9 tt -52.81 -26.88 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.299 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.89 -40.25 65.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.038 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.52 -46.94 88.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.787 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HD3' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -59.31 -55.76 30.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.737 179.783 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.055 HG23 ' HB2' ' A' ' 25' ' ' ALA . 59.0 mt -63.31 -31.79 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -67.41 -48.59 66.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.72 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -67.28 -45.55 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' A' ' 71' ' ' LYS . 10.4 mt -63.86 -37.2 79.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.17 -33.77 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.827 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -77.41 -31.08 53.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.89 -35.44 80.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.605 ' HA ' HD23 ' B' ' 99' ' ' LEU . 67.2 tp -58.34 -31.53 67.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.1 -30.78 68.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -32.21 72.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mttm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.759 0.314 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 tt -55.44 -38.96 69.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 26.2 t -78.08 -30.94 49.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.85 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.79 -30.74 65.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 mt -75.89 -36.9 59.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 79' ' ' LEU . 1.1 mp -72.61 -37.82 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.8 -32.41 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.423 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 83.1 t80 -59.69 -38.87 82.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -77.11 -31.98 56.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.55 -31.36 42.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.528 ' O ' ' C ' ' A' ' 5' ' ' GLY . 2.7 mtmm . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 33.65 43.47 0.27 Allowed Glycine 0 C--N 1.348 1.222 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.707 ' HZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -80.47 -64.34 1.21 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -175.571 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -80.12 -13.02 59.6 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -176.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.82 -40.52 4.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.65 -178.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.804 ' O ' HD13 ' A' ' 14' ' ' LEU . 2.5 m80 -133.57 20.21 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.758 HG22 ' HG3' ' A' ' 61' ' ' ARG . 15.7 t -114.37 93.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -126.81 -173.56 2.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.112 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -64.01 -42.63 97.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.086 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.58 -42.41 82.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.029 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.804 HD13 ' O ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -77.13 -31.22 55.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.081 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.761 ' O ' HG23 ' A' ' 19' ' ' VAL . 12.2 ttm105 -71.97 -30.6 65.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -58.29 -30.71 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -75.65 -31.26 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.613 HD21 ' CE1' ' A' ' 65' ' ' TYR . 6.2 mt -78.46 -37.35 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 15' ' ' ARG . 33.0 t -59.87 -49.76 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -65.2 -32.44 74.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' O ' HD13 ' A' ' 72' ' ' ILE . 17.3 mttt -62.98 -44.72 95.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -31.76 71.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 19' ' ' VAL . 22.0 t -76.51 -30.79 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.41 ' HG3' ' HA ' ' A' ' 28' ' ' PRO . 1.4 tt0 -62.73 -28.47 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.684 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.54 -62.65 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.199 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.7 HD13 HD21 ' A' ' 43' ' ' LEU . 3.7 mp -68.28 -32.56 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.246 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.73 79.77 27.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 34.7 Cg_exo -59.66 -64.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.646 2.231 . . . . 0.0 112.391 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -67.42 157.52 85.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.52 160.75 47.96 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.736 2.291 . . . . 0.0 112.176 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -165.75 86.23 0.97 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.732 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 19.7 Cg_endo -60.55 -25.05 79.86 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.491 2.128 . . . . 0.0 112.104 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -24.34 41.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.64 79.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt -57.26 -31.02 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -86.11 -24.07 26.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.41 135.23 56.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -30.04 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.69 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.95 -39.81 82.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -29.61 64.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -33.56 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.752 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -80.0 -31.28 39.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.793 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.7 HD21 HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -59.8 -43.84 94.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.64 -58.7 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.053 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -33.41 64.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.642 ' O ' HG23 ' A' ' 50' ' ' VAL . 63.2 t80 -64.62 -51.62 61.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.702 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -28.15 69.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -72.9 -34.17 66.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.86 -37.93 29.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.014 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.0 t -75.51 -44.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -49.62 -43.79 46.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.848 0.356 . . . . 0.0 110.139 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.82 82.06 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.385 -0.912 . . . . 0.0 110.902 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -28.77 46.69 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.056 0.455 . . . . 0.0 110.16 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.478 ' HG2' HG12 ' A' ' 50' ' ' VAL . 35.1 mmt -74.88 -33.26 62.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.69 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.707 ' O ' ' HZ2' ' A' ' 6' ' ' TRP . 5.9 t80 -70.01 -54.66 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.557 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -52.62 -22.92 5.59 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.688 ' HB3' HD22 ' A' ' 67' ' ' LEU . 3.8 t -72.16 -21.68 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.475 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -103.48 129.57 50.67 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.498 ' O ' ' O ' ' A' ' 4' ' ' LYS . 2.4 p-10 -81.02 -3.83 53.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.452 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 10.6 t -152.56 -179.81 7.93 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.656 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.758 ' HG3' HG22 ' A' ' 10' ' ' VAL . 1.3 ttp180 -74.32 -43.67 55.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -54.76 38.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.71 -28.97 67.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.506 ' HA ' HD21 ' A' ' 67' ' ' LEU . 13.9 t80 -70.74 -33.03 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.613 ' CE1' HD21 ' A' ' 18' ' ' LEU . 1.6 m-85 -77.66 -31.58 52.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.37 -51.42 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 57' ' ' SER . 4.3 pp -59.89 -29.31 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.678 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -70.1 -37.66 75.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.95 -43.08 96.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.67 -40.84 84.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -66.04 -55.77 14.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.684 HG23 ' HB2' ' A' ' 25' ' ' ALA . 42.9 mt -64.02 -31.28 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -71.89 -53.39 13.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -45.66 91.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.3 mt -68.4 -30.06 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -43.06 91.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -77.3 -30.64 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.69 -28.8 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.678 HD12 ' HG ' ' B' ' 99' ' ' LEU . 10.7 tp -57.89 -32.22 67.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.81 -31.56 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -70.34 -31.27 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.77 0.319 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.531 HD23 ' C ' ' B' ' 95' ' ' LEU . 8.5 tt -55.66 -35.75 66.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 80.9 p -78.09 -31.67 50.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -34.78 76.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.445 HD23 ' HG2' ' A' ' 39' ' ' ARG . 42.0 mt -75.79 -31.54 59.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.678 ' HG ' HD12 ' A' ' 79' ' ' LEU . 7.7 tp -75.35 -31.93 60.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -60.85 -33.32 72.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -60.69 -40.51 92.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -73.53 -31.84 63.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.31 67.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 20.5 ttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.2 mtmm . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 119.408 -0.329 . . . . 0.0 111.64 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 31.63 45.84 0.17 Allowed Glycine 0 C--N 1.348 1.25 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.738 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.28 -64.67 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.141 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 17.3 t-80 -80.67 -13.81 58.7 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -45.68 9.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.448 ' CD2' ' NH1' ' A' ' 61' ' ' ARG . 1.2 t60 -132.04 23.88 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.687 HG22 ' HG3' ' A' ' 61' ' ' ARG . 56.5 t -105.1 -52.26 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.429 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 3.8 p 54.47 168.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.401 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -37.72 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.08 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.54 -55.99 27.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.17 -31.2 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.881 ' O ' HG23 ' A' ' 19' ' ' VAL . 41.4 ttt180 -65.08 -41.22 95.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -69.78 -31.08 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.94 -30.8 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 68' ' ' LEU . 16.5 mt -79.55 -31.78 42.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 15' ' ' ARG . 44.9 t -59.66 -32.43 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -61.48 -31.67 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.602 ' HB3' HD13 ' A' ' 72' ' ' ILE . 6.4 mmpt? -64.34 -45.46 87.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.765 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -39.63 84.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -72.64 -29.21 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -79.79 -27.18 40.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.899 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.05 -56.97 15.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.258 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.42 ' CD1' HD21 ' A' ' 43' ' ' LEU . 14.9 mt -65.55 -30.45 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CD2' ' OD2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -147.43 84.81 7.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.748 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -74.03 -45.55 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.56 2.173 . . . . 0.0 112.579 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.7 141.5 84.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.98 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.82 152.24 29.46 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.429 2.086 . . . . 0.0 112.279 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.408 ' OD2' ' CD2' ' A' ' 27' ' ' PHE . 12.8 p30 -158.64 75.58 3.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.77 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.45 -27.07 74.54 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.515 2.143 . . . . 0.0 112.058 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.75 -23.12 42.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.03 -36.63 72.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.52 -30.26 62.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.77 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -84.02 -23.68 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.776 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.02 143.34 52.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -30.41 63.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.501 ' NH1' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.62 -32.31 72.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.914 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.533 ' HE3' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -59.68 -30.47 68.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.95 -31.21 64.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.71 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -79.95 -30.36 39.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.77 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.533 HD13 ' HE3' ' A' ' 40' ' ' MET . 0.5 OUTLIER -58.52 -42.95 88.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.39 -58.65 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -36.52 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -61.13 -52.36 65.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.712 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.03 70.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -69.94 -30.85 68.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -76.77 -39.2 52.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.49 -50.83 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' OE1' HG13 ' A' ' 19' ' ' VAL . 13.1 pt-20 -49.29 -44.42 44.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.933 0.397 . . . . 0.0 110.196 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.54 -30.35 76.29 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.299 -0.953 . . . . 0.0 110.883 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.42 -30.34 57.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.924 0.392 . . . . 0.0 110.215 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.469 ' HB3' HD11 ' A' ' 67' ' ' LEU . 5.6 mmt -67.07 -30.82 70.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.786 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.738 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 46.6 t80 -77.83 -22.48 49.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.194 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.35 -26.05 20.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.59 -45.34 45.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 0.0 111.209 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.653 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -73.19 126.91 31.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.605 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.524 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 5.6 m120 -89.72 3.64 52.14 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -160.14 156.74 27.22 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.46 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.687 ' HG3' HG22 ' A' ' 10' ' ' VAL . 8.2 ttp180 -56.51 -39.92 74.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -53.36 -54.81 31.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.993 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.559 ' HG3' HD23 ' A' ' 67' ' ' LEU . 8.5 tp10 -61.94 -38.77 89.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.58 ' HA ' HD21 ' A' ' 67' ' ' LEU . 33.1 t80 -57.86 -37.96 74.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.769 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.454 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -77.74 -29.02 50.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -75.41 -53.25 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.653 HD21 ' HB2' ' A' ' 58' ' ' ALA . 3.4 pp -58.35 -30.48 66.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.987 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -67.12 -46.97 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.893 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.86 89.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.89 -41.71 83.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' O ' HD12 ' A' ' 75' ' ' ILE . 11.4 mmmt -65.07 -55.77 16.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.748 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 25' ' ' ALA . 6.4 mt -63.47 -31.28 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -72.22 -57.18 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -57.9 -47.74 81.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.504 HD12 ' O ' ' A' ' 71' ' ' LYS . 18.7 mt -64.87 -30.31 49.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -66.45 -36.38 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -29.16 52.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -30.13 65.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -37.12 76.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.76 -31.67 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.27 -30.37 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.678 0.275 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 tp -55.62 -35.7 66.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.814 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -31.51 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.82 -38.24 82.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.424 HD22 ' HG ' ' A' ' 43' ' ' LEU . 33.1 mt -75.61 -31.82 60.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.27 -43.75 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.95 -29.87 68.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.411 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 5.5 t80 -58.61 -33.65 70.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.4 m -79.75 -31.69 41.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.27 -47.79 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.32 0.105 . . . . 0.0 111.214 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.84 60.55 2.55 Favored Glycine 0 C--N 1.334 0.467 0 N-CA-C 107.401 -2.279 . . . . 0.0 107.401 175.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.727 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.27 -64.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -175.109 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 64.6 t-80 -76.41 -13.51 60.12 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.275 -177.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.7 -53.14 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.77 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 12.3 m170 -124.54 21.79 8.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.607 HG22 ' HG3' ' A' ' 61' ' ' ARG . 53.4 t -104.81 -53.64 6.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.429 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 1.3 p 52.93 164.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.696 178.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -74.89 -48.59 23.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.7 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.32 -56.28 21.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.812 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.457 HD23 ' C ' ' A' ' 14' ' ' LEU . 7.3 tt -62.58 -29.53 70.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.901 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 19' ' ' VAL . 9.1 ttm180 -64.98 -31.07 72.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.662 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -34.63 73.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -64.38 -38.02 89.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.746 HD22 ' CE2' ' A' ' 64' ' ' TYR . 4.4 mp -71.01 -28.95 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 15' ' ' ARG . 40.6 t -64.09 -27.36 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -72.2 -30.32 64.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -57.56 -43.74 84.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' HA ' HD11 ' A' ' 72' ' ' ILE . 9.5 mt -60.56 -33.12 72.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.761 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -77.28 -28.84 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.124 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -31.99 67.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.839 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -60.26 -58.0 10.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.719 ' HA ' HD12 ' B' ' 99' ' ' LEU . 12.3 mt -67.11 -39.59 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CZ ' ' CB ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -134.64 77.48 58.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.93 -47.56 0.57 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.55 2.167 . . . . 0.0 112.445 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.34 149.9 97.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.003 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.02 146.6 71.57 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.704 2.27 . . . . 0.0 112.278 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.438 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 7.3 t70 -167.57 90.21 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.791 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.49 -22.7 75.17 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.064 . . . . 0.0 112.141 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.52 -25.78 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.99 95.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 mt -57.95 -26.45 62.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.647 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.21 -22.79 20.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.16 137.08 57.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.873 0.368 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -44.35 96.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.585 ' NH1' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -55.99 -28.99 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.145 -179.825 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.49 ' SD ' HD13 ' A' ' 43' ' ' LEU . 5.0 tpp -59.41 -25.44 64.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.85 -29.63 63.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -79.89 -31.23 40.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.585 HD12 ' NH1' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -59.92 -41.68 92.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 t -63.07 -58.75 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.8 69.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.807 ' OH ' HD13 ' B' ' 95' ' ' LEU . 28.4 t80 -62.29 -51.4 67.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.773 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.98 -32.22 73.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.039 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -62.44 -31.09 71.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -74.99 -43.31 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.36 -52.44 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -49.94 -43.65 50.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.937 0.398 . . . . 0.0 110.138 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.16 -30.92 79.08 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.0 -28.69 49.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 0.0 110.287 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 35.5 mmt -67.3 -32.49 73.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.801 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.727 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 45.1 t80 -77.63 -22.98 49.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.229 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.56 -32.67 16.2 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.196 -0.315 . . . . 0.0 111.553 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.401 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -67.25 -50.34 60.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.324 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.535 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -72.57 129.47 38.36 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.909 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.485 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.2 m-20 -96.38 4.83 51.95 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.5 t -152.14 161.4 42.69 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.607 ' HG3' HG22 ' A' ' 10' ' ' VAL . 12.2 ttp180 -59.97 -51.14 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -51.94 -50.19 61.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -61.33 -37.85 84.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.746 ' CE2' HD22 ' A' ' 18' ' ' LEU . 26.1 t80 -60.6 -42.89 97.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.704 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.552 ' CE2' HD11 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.73 -28.54 50.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.122 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.84 -57.09 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.367 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.897 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -53.63 -27.65 28.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.214 -179.659 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.897 ' N ' HD23 ' A' ' 67' ' ' LEU . 3.6 tt -72.6 -31.87 65.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.839 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.97 85.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -38.84 79.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' HD12 ' A' ' 75' ' ' ILE . 4.2 mtpp -68.58 -55.8 10.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.769 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.839 HG23 ' HB2' ' A' ' 25' ' ' ALA . 27.5 mm -63.64 -31.67 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -66.42 -55.13 17.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.658 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -61.73 -44.64 96.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.1 mt -68.8 -31.08 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -59.68 -42.45 92.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -77.49 -28.14 52.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.82 -27.92 63.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.57 HD21 ' HA ' ' B' ' 103' ' ' ALA . 1.2 tt -56.55 -31.36 64.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.066 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.56 -29.09 70.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -82.49 -26.84 32.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CG ' HD23 ' B' ' 99' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.997 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.77 0.319 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.807 HD13 ' OH ' ' A' ' 46' ' ' TYR . 19.2 tp -55.62 -36.38 66.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.824 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 10.5 m -78.0 -31.24 50.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -66.41 -52.89 41.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.5 ' HB3' HG21 ' A' ' 26' ' ' ILE . 9.2 mt -60.03 -36.4 77.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 26' ' ' ILE . 1.1 tp -71.27 -30.95 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.84 -31.83 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.412 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 8.5 t80 -59.66 -46.11 90.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -83.26 -37.25 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' ALA . . . . . 0.57 ' HA ' HD21 ' A' ' 79' ' ' LEU . . . -61.45 -37.08 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.6 ttp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 120.359 0.123 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.89 64.77 1.9 Allowed Glycine 0 C--N 1.333 0.382 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 175.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.67 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.95 -65.22 1.04 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -174.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -61.67 -12.76 17.78 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.757 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 1.3 pt-20 -43.73 -50.64 7.59 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -134.39 36.17 3.19 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.67 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -114.98 -42.71 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.849 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 10' ' ' VAL . 2.4 p 48.61 175.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.848 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -75.01 -48.51 23.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.828 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.52 -56.46 5.34 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' ' 10' ' ' VAL . 8.1 tt -53.63 -29.57 38.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.106 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -65.42 -31.83 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.717 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -31.72 71.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -61.3 -30.95 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.52 HD21 ' CE2' ' A' ' 65' ' ' TYR . 4.8 mp -78.87 -31.31 45.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.71 -34.61 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -62.33 -27.5 69.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -56.46 -44.53 80.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 26' ' ' ILE . 36.5 mt -60.34 -41.41 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.709 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.19 -29.72 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -78.44 -26.84 46.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' HB2' HG12 ' A' ' 72' ' ' ILE . . . -57.07 -61.5 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.165 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.703 HD13 HD21 ' A' ' 43' ' ' LEU . 3.7 mp -66.15 -30.76 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.41 82.84 13.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.45 -63.16 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.6 2.2 . . . . 0.0 112.346 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 p -66.97 149.31 98.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.75 146.68 48.96 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.538 2.159 . . . . 0.0 112.258 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -154.61 85.68 3.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HA ' HD23 ' A' ' 35' ' ' LEU . 17.8 Cg_endo -59.82 -18.73 50.67 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.601 2.201 . . . . 0.0 112.271 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.84 -28.01 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.733 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.631 ' HB1' ' NH2' ' A' ' 39' ' ' ARG . . . -72.08 -26.02 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.012 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 32' ' ' PRO . 2.9 mm? -55.92 -35.96 67.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -83.37 -29.56 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.84 142.86 39.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -26.52 65.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.654 ' HD2' HD22 ' B' ' 98' ' ' LEU . 5.4 tmm_? -53.99 -48.05 70.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.679 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -57.14 -29.32 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.76 -42.44 75.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.599 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -79.96 -32.33 39.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.78 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.703 HD21 HD13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -60.53 -44.77 95.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 40' ' ' MET . 32.6 t -60.1 -59.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.04 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.62 ' O ' HG23 ' A' ' 50' ' ' VAL . 74.3 t80 -70.25 -53.99 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.802 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.86 -28.24 69.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -71.31 -35.7 71.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -80.8 -38.06 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 46' ' ' TYR . 21.9 t -75.55 -44.87 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.407 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -49.05 -43.16 40.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.902 0.382 . . . . 0.0 110.361 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.98 -32.29 83.72 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.38 -0.914 . . . . 0.0 110.912 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -78.52 -28.16 46.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.009 0.433 . . . . 0.0 110.322 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.408 ' HB3' HD12 ' A' ' 68' ' ' LEU . 27.5 mmt -71.82 -46.18 59.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.963 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.563 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -60.33 -54.41 46.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.04 -40.62 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.89 -28.67 2.77 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.962 0.41 . . . . 0.0 111.272 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.517 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -92.91 133.75 35.79 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.696 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.476 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.6 m120 -95.44 0.08 52.94 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 m -150.03 175.91 11.27 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.661 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.617 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.26 -50.38 19.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.2 -45.96 75.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.68 -40.98 94.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.482 ' CE2' HD22 ' A' ' 18' ' ' LEU . 9.8 t80 -59.74 -32.63 70.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.52 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -73.98 -55.48 6.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -65.82 -44.91 84.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.536 HD23 ' C ' ' A' ' 67' ' ' LEU . 8.2 tt -60.72 -55.33 34.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.441 HD21 HD11 ' A' ' 72' ' ' ILE . 5.6 tt -57.09 -28.57 62.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.25 68.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.154 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.26 -43.57 83.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.65 ' HE3' HD11 ' A' ' 75' ' ' ILE . 4.4 mmmt -61.8 -55.86 25.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.687 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.441 HD11 HD21 ' A' ' 68' ' ' LEU . 5.0 mt -60.8 -32.12 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.792 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -75.13 -43.36 53.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.811 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -72.18 -45.86 58.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.65 HD11 ' HE3' ' A' ' 71' ' ' LYS . 9.2 mt -64.97 -31.78 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -59.94 -47.28 86.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -70.07 -29.37 66.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.985 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.47 -24.98 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.623 ' HA ' HD23 ' B' ' 99' ' ' LEU . 7.0 mt -55.65 -27.58 50.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -33.21 75.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -62.85 -27.1 69.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.075 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.72 0.295 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.422 ' O ' HD12 ' B' ' 99' ' ' LEU . 63.7 tp -55.06 -31.62 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.08 -31.36 50.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.8 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -65.22 -34.23 77.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.654 HD22 ' HD2' ' A' ' 39' ' ' ARG . 24.0 mt -69.96 -30.84 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' A' ' 79' ' ' LEU . 1.8 mp -71.76 -34.01 69.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.65 -32.04 64.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.427 ' CG ' ' NH1' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -59.91 -57.46 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -30.68 68.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.46 -30.45 66.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 1.6 ttm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.521 ' HD3' ' CD1' ' A' ' 6' ' ' TRP . 0.9 OUTLIER . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 111.429 0.159 . . . . 0.0 111.429 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.21 64.64 2.03 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 106.966 -2.454 . . . . 0.0 106.966 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.681 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.62 -64.53 1.14 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -174.67 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.416 ' CE1' ' OH ' ' A' ' 55' ' ' TYR . 2.1 m-70 -63.28 -13.01 33.58 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.778 -1.101 . . . . 0.0 113.664 -176.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -43.78 -49.66 8.01 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.99 39.26 3.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.688 HG11 ' HE2' ' A' ' 55' ' ' TYR . 3.9 t -103.19 -62.89 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.97 0.414 . . . . 0.0 109.946 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p 56.26 168.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.124 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -74.42 -38.25 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.5 -56.04 24.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -37.72 79.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.898 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -62.23 -50.12 73.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -64.55 -29.51 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.015 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -73.59 -30.59 63.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.457 HD22 HD22 ' A' ' 68' ' ' LEU . 17.5 mt -81.42 -33.11 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.056 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 15' ' ' ARG . 24.2 t -59.08 -29.29 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -71.86 -30.05 65.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -59.15 -46.71 87.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.3 mp -60.11 -32.28 70.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.67 -30.79 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -25.12 54.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.921 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -56.74 -61.2 2.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.288 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.637 ' HB ' HD21 ' A' ' 43' ' ' LEU . 5.8 mt -61.78 -32.12 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.213 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.543 ' HE1' HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -143.42 84.96 9.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.73 -46.56 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.561 2.174 . . . . 0.0 112.402 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.543 HG23 ' HE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -73.97 149.8 87.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.62 147.12 93.02 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.626 2.218 . . . . 0.0 112.262 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -153.83 78.47 5.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.48 -21.25 53.16 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.629 2.219 . . . . 0.0 112.204 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.18 -23.38 43.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.497 ' HB1' ' HE2' ' A' ' 40' ' ' MET . . . -69.03 -28.66 66.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.181 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.88 -36.03 71.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -82.45 -25.68 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.05 140.58 54.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.13 -25.57 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' NH2' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -56.39 -39.54 73.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.998 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.506 ' SD ' HD13 ' A' ' 43' ' ' LEU . 50.7 tpp -57.98 -29.12 64.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.79 -30.49 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.832 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -79.93 -29.9 39.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.637 HD21 ' HB ' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -57.83 -48.15 80.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.3 t -59.68 -59.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.047 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.48 80.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.798 ' OH ' HD13 ' B' ' 95' ' ' LEU . 23.5 t80 -61.25 -55.37 32.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.739 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.53 72.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -33.53 75.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -71.94 -43.91 64.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.779 HG12 ' SD ' ' A' ' 54' ' ' MET . 25.9 t -68.86 -55.09 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -44.13 54.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.399 . . . . 0.0 109.97 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.32 -31.18 78.38 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.25 -29.08 62.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.916 0.389 . . . . 0.0 110.071 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.779 ' SD ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -67.07 -34.26 77.29 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.692 179.776 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.688 ' HE2' HG11 ' A' ' 10' ' ' VAL . 37.5 t80 -76.26 -23.24 54.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.8 -35.04 15.06 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.923 0.392 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.733 ' OG ' HD11 ' A' ' 67' ' ' LEU . 2.2 p -67.59 -52.46 38.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.682 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.513 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -66.76 127.12 31.26 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.271 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 1.5 m-20 -94.12 4.9 53.25 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.3 p -153.49 165.23 36.49 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.489 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -65.71 -44.1 87.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -57.36 -53.39 58.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.681 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.14 -38.35 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.429 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.592 ' HA ' HD22 ' A' ' 67' ' ' LEU . 31.2 t80 -60.84 -39.16 88.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.613 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.447 ' CD1' ' NH1' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -77.89 -32.02 51.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.221 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -80.82 -57.12 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.412 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.867 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -59.09 -27.86 65.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.044 -179.735 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.867 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.6 tt -71.35 -31.3 67.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.809 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.91 -35.32 72.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.42 -41.21 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.492 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -64.43 -55.73 18.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.628 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.921 HG23 ' HB2' ' A' ' 25' ' ' ALA . 5.1 mt -62.67 -31.05 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.791 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -75.2 -51.84 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.718 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.97 -42.98 95.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.2 mt -71.05 -29.88 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -49.13 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -77.53 -29.9 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -60.07 -29.71 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.989 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.688 ' HA ' HD22 ' B' ' 99' ' ' LEU . 9.5 tt -57.66 -30.65 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.73 -31.65 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -68.31 -30.87 69.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.708 0.29 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.798 HD13 ' OH ' ' A' ' 46' ' ' TYR . 6.7 tp -55.5 -37.81 68.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.783 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 4.9 m -77.99 -30.95 50.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -75.45 -31.64 60.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 mp -79.94 -42.08 24.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.688 HD22 ' HA ' ' A' ' 79' ' ' LEU . 10.9 mt -60.25 -34.01 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -51.66 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.14 -37.49 80.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -69.07 -39.12 79.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.04 63.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.278 0.085 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.8 63.67 1.94 Allowed Glycine 0 C--N 1.334 0.427 0 N-CA-C 107.171 -2.372 . . . . 0.0 107.171 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.558 ' HZ3' HG11 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.81 -64.96 1.07 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -174.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.628 ' HA ' HG23 ' A' ' 10' ' ' VAL . 58.4 t-80 -62.42 -13.15 26.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.47 -176.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.36 -51.39 8.57 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -177.758 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.463 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -133.12 40.21 3.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -111.21 -51.59 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 177.496 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p 51.62 176.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.33 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -74.63 -44.37 50.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -58.72 -56.22 24.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.623 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -42.08 97.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.019 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.726 ' O ' HG23 ' A' ' 19' ' ' VAL . 6.9 tmm_? -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 t -78.28 -34.41 48.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -47.36 86.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.915 HD13 ' CE2' ' A' ' 64' ' ' TYR . 1.4 mt -60.55 -35.05 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 15' ' ' ARG . 46.7 t -58.65 -29.86 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -73.11 -28.52 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HD3' HD23 ' A' ' 18' ' ' LEU . 11.9 mtpt -57.72 -44.64 86.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.409 HD21 ' HG3' ' A' ' 54' ' ' MET . 2.0 mp -60.66 -32.36 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.7 t -73.0 -29.46 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.17 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -79.63 -30.36 41.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.728 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -57.26 -47.37 81.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.99 HD12 HD21 ' A' ' 43' ' ' LEU . 30.5 mt -74.01 -44.61 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.05 77.29 76.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.3 -62.46 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.606 2.204 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 79.8 p -68.91 154.76 94.59 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.38 154.7 45.84 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.71 92.03 1.41 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.69 -25.65 75.14 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.408 2.072 . . . . 0.0 112.176 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.75 -25.77 40.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.998 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.23 60.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.82 -31.04 68.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.71 -24.61 25.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.73 148.54 33.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -27.43 69.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.707 ' CD ' HD23 ' B' ' 98' ' ' LEU . 2.2 tmm_? -56.1 -46.24 79.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.013 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.421 ' CE ' HD13 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -54.45 -29.09 48.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -56.82 -39.1 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -79.88 -29.85 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.864 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.99 HD21 HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -58.17 -49.48 76.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.59 -59.15 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.1 82.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.704 ' O ' HG23 ' A' ' 50' ' ' VAL . 57.9 t80 -61.64 -52.95 62.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.57 -28.2 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -66.29 -36.48 83.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -80.72 -35.64 33.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.995 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 46' ' ' TYR . 23.5 t -75.52 -46.59 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.202 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' CD ' HG13 ' A' ' 19' ' ' VAL . 12.5 pt-20 -49.55 -46.31 48.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.288 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.02 -31.25 80.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.419 -0.896 . . . . 0.0 110.987 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -78.41 -28.81 46.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.95 0.405 . . . . 0.0 110.32 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.409 ' HG3' HD21 ' A' ' 22' ' ' LEU . 29.9 mmt -68.75 -41.12 79.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.53 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -64.65 -54.29 34.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.22 -40.47 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.28 -29.2 2.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.923 0.392 . . . . 0.0 111.354 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 64' ' ' TYR . . . -92.95 133.82 35.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.634 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 3.3 m-20 -95.6 0.33 52.73 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 176.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -151.16 173.89 13.88 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HG2' ' HB3' ' A' ' 9' ' ' HIS . 4.6 tpt180 -70.34 -55.94 7.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.788 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -50.05 -49.77 50.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.248 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -58.98 -40.78 85.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.915 ' CE2' HD13 ' A' ' 18' ' ' LEU . 9.7 t80 -58.66 -30.91 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.77 -55.55 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.943 -179.829 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -65.75 -30.84 71.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -74.68 -53.32 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.518 ' CD2' HD11 ' A' ' 72' ' ' ILE . 7.4 tt -57.67 -29.76 64.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.3 -30.44 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.06 -40.4 80.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.664 ' HE3' HD11 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -64.85 -55.85 16.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.728 HG23 ' HB2' ' A' ' 25' ' ' ALA . 5.7 mt -61.23 -32.33 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.805 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -75.07 -37.72 61.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.718 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -77.15 -46.34 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.664 HD11 ' HE3' ' A' ' 71' ' ' LYS . 7.8 mt -62.19 -44.17 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -60.23 -31.47 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.83 -31.48 68.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -67.99 -30.82 70.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.49 -30.69 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.18 -31.51 72.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.14 -42.36 62.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 mttm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.563 HD12 ' N ' ' B' ' 96' ' ' SER . 3.8 pp -55.23 -31.81 61.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 96' ' ' SER . . . . . 0.563 ' N ' HD12 ' B' ' 95' ' ' LEU . 0.8 OUTLIER -77.99 -33.08 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.3 -32.1 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.707 HD23 ' CD ' ' A' ' 39' ' ' ARG . 1.2 mt -67.57 -29.62 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.48 -31.38 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -61.39 -53.69 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.59 -30.16 66.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -77.06 -37.2 55.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.99 -32.37 34.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.571 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.1 mtmm . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 119.432 -0.318 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 30.31 47.37 0.13 Allowed Glycine 0 C--N 1.347 1.17 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.607 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -81.34 -64.42 1.19 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -175.202 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.95 -12.24 60.88 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -53.32 5.75 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.412 ' HB3' ' NE ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -137.93 33.57 2.4 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -178.112 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.893 HG22 ' HG2' ' A' ' 61' ' ' ARG . 9.7 t -100.46 -62.57 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.859 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p 55.55 168.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.148 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -74.47 -37.99 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.146 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.23 -56.18 18.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.218 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -61.68 -35.05 76.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.83 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.909 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.4 ttt180 -70.55 -36.32 73.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 p -59.72 -32.69 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -72.98 -34.19 66.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.85 HD22 ' CE2' ' A' ' 64' ' ' TYR . 4.0 mp -76.88 -31.27 56.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 15' ' ' ARG . 26.5 t -61.64 -32.9 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -28.36 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.491 ' HB3' HD13 ' A' ' 72' ' ' ILE . 23.8 mttt -57.63 -45.5 85.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.561 ' CD1' HD11 ' A' ' 68' ' ' LEU . 2.9 mp -60.18 -32.02 70.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.24 -30.46 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -80.74 -35.24 33.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.888 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.16 -42.86 86.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.535 ' CD1' HD21 ' A' ' 43' ' ' LEU . 30.8 mt -74.5 -47.8 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.409 ' CE2' ' OD2' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -128.69 71.88 81.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.93 -62.42 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.599 2.2 . . . . 0.0 112.391 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.1 p -59.69 154.35 46.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.95 153.35 68.15 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.634 2.222 . . . . 0.0 112.313 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' CE2' ' A' ' 27' ' ' PHE . 9.5 p30 -153.57 85.43 4.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.59 -27.12 84.28 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.462 2.108 . . . . 0.0 112.07 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.66 -24.97 41.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.91 89.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.41 -29.01 61.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -89.09 -24.89 22.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.42 138.19 57.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -73.16 -30.87 63.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.596 ' NH1' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.84 -35.27 76.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 tpp -60.52 -28.6 68.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.65 -31.43 64.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -79.89 -30.53 40.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.596 HD12 ' NH1' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -58.45 -42.41 87.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.67 -59.1 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.55 73.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.755 ' OH ' HD12 ' B' ' 95' ' ' LEU . 15.9 t80 -60.53 -46.89 88.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.21 63.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -69.95 -32.97 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.088 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -80.77 -39.16 27.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.9 t -75.49 -44.64 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.378 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -49.35 -43.6 43.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.84 0.353 . . . . 0.0 110.227 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.74 -32.52 84.45 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.47 -30.03 47.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.99 0.424 . . . . 0.0 110.14 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.503 ' HG2' HG12 ' A' ' 50' ' ' VAL . 29.1 mmt -74.58 -31.61 62.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.779 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 2.1 t80 -72.48 -54.68 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.613 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.27 -24.62 63.4 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.3 -23.23 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.654 0.264 . . . . 0.0 111.65 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' CE2' ' A' ' 6' ' ' TRP . . . -97.33 127.17 43.06 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.518 ' O ' ' O ' ' A' ' 4' ' ' LYS . 3.3 p-10 -81.88 -4.11 55.74 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.456 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 9.0 m -145.45 176.49 9.55 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.893 ' HG2' HG22 ' A' ' 10' ' ' VAL . 4.8 tmm_? -74.29 -54.61 7.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.998 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.18 -43.1 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.124 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.06 -38.81 77.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.85 ' CE2' HD22 ' A' ' 18' ' ' LEU . 22.4 t80 -63.41 -30.45 71.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.753 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -49.05 24.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -74.42 -32.45 62.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -70.51 -53.32 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.586 HD22 HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -57.49 -35.83 70.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.026 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -30.25 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.21 -46.42 90.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.437 ' O ' HG12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -62.35 -56.6 16.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.907 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.888 HG23 ' HB2' ' A' ' 25' ' ' ALA . 4.2 mt -58.91 -28.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.158 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.61 -44.55 42.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.797 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.557 ' HD2' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -79.16 -40.09 31.81 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -178.569 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.783 HG13 ' HB1' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -74.53 -29.58 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.051 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.429 ' NE2' HG22 ' A' ' 72' ' ' ILE . 7.0 mt-30 -59.88 -57.97 10.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.393 . . . . 0.0 110.722 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -59.91 -28.85 67.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.14 -29.55 65.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.002 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -58.7 -38.71 78.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.35 -40.42 95.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.49 -31.12 69.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.768 0.318 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.755 HD12 ' OH ' ' A' ' 46' ' ' TYR . 8.6 tt -55.4 -36.68 66.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.839 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.9 p -78.05 -31.26 50.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -69.63 -32.16 70.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.557 HD22 ' HG ' ' A' ' 43' ' ' LEU . 82.6 mt -71.2 -37.48 72.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.9 mp -78.65 -39.88 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.79 -30.84 69.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.417 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 11.6 t80 -59.04 -53.25 60.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -62.33 -32.32 73.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.04 -31.69 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 26.3 mmm . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 m -123.49 179.42 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.337 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -171.78 159.11 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.461 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER -54.29 159.37 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.532 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.79 64.1 1.9 Allowed Glycine 0 C--N 1.334 0.457 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 175.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.521 ' CZ3' ' CZ ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.59 -64.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -174.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.613 ' HA ' HG23 ' A' ' 10' ' ' VAL . 7.7 t-80 -62.13 -13.01 22.74 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.097 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 1.1 pp20? -44.02 -53.2 6.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -130.09 26.94 5.16 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.613 HG23 ' HA ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -96.02 -42.46 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.276 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 12' ' ' GLN . 10.4 m 51.71 166.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.834 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.428 ' N ' HG22 ' A' ' 11' ' ' THR . 1.6 tt0 -74.55 -52.52 11.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -53.7 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.305 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.05 -29.79 32.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.229 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 19' ' ' VAL . 23.3 ttm180 -71.64 -35.11 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.788 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 m -62.27 -31.43 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -64.77 -35.49 81.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 68' ' ' LEU . 10.6 mp -73.38 -34.25 65.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 15' ' ' ARG . 31.6 t -59.79 -38.88 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -61.08 -36.24 79.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' HB3' HD13 ' A' ' 72' ' ' ILE . 9.1 mmtm -59.84 -33.01 71.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.74 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -36.89 74.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.709 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.2 t -77.36 -30.96 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -65.87 -30.36 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.679 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.44 -47.72 83.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.728 HD12 HD21 ' A' ' 43' ' ' LEU . 31.1 mt -73.52 -31.15 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.7 82.38 10.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.27 -46.45 1.42 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.59 2.194 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.56 148.82 85.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.94 146.43 52.85 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.647 2.231 . . . . 0.0 112.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.26 91.15 3.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.49 -25.66 75.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.367 2.044 . . . . 0.0 112.151 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.71 -26.54 40.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.063 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -33.56 76.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.21 -31.45 67.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -85.3 -24.29 27.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.17 136.57 57.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.59 -29.02 70.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.803 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -58.71 -41.09 85.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -30.03 64.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.21 -35.16 69.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.749 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -79.9 -29.93 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.803 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -58.04 -48.41 80.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 t -62.08 -58.87 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.41 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.474 ' OH ' HD13 ' B' ' 95' ' ' LEU . 64.6 t80 -60.9 -54.16 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.75 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -68.39 -31.31 70.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -80.78 -41.76 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.475 HG12 ' SD ' ' A' ' 54' ' ' MET . 20.3 t -75.47 -43.65 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.207 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.28 -42.47 52.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 110.078 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.07 -31.97 82.62 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -78.48 -29.34 46.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.008 0.433 . . . . 0.0 110.13 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.475 ' SD ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -77.02 -41.11 43.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.521 ' CZ ' ' CZ3' ' A' ' 6' ' ' TRP . 7.5 t80 -62.82 -54.24 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.772 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.83 -39.3 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.478 ' HB3' HD22 ' A' ' 67' ' ' LEU . 18.5 t -47.61 -28.62 2.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.893 0.378 . . . . 0.0 111.332 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.546 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -93.55 134.46 35.81 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.714 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 8.1 p-10 -96.27 0.08 50.42 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 176.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.0 154.66 34.14 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.521 ' HG2' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -57.32 -28.35 63.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.084 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -54.66 20.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -59.68 -31.49 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.561 ' HA ' HD21 ' A' ' 67' ' ' LEU . 13.4 t80 -67.81 -30.73 70.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -28.23 50.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -78.33 -53.86 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.029 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.561 HD21 ' HA ' ' A' ' 64' ' ' TYR . 3.7 pp -57.09 -30.57 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.75 ' CD2' HD11 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -63.65 -38.73 92.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.91 92.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -58.77 -46.99 86.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -60.48 -55.8 29.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 68' ' ' LEU . 17.2 mt -63.73 -31.42 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -68.43 -56.88 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.749 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -57.39 -44.26 84.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.6 mt -68.88 -32.65 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.075 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -48.43 81.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -77.14 -29.98 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.87 -30.2 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.592 ' HG ' HD23 ' B' ' 99' ' ' LEU . 6.4 mt -59.14 -31.28 68.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -41.85 91.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.99 -31.64 71.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -67.63 -31.33 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -38.58 82.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -80.04 -3.37 48.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.1 t -64.96 -10.1 26.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.692 0.282 . . . . 0.0 110.341 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.98 -13.78 0.72 Allowed 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.298 0.571 . . . . 0.0 112.062 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 C--N 1.31 -1.143 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.916 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 95.9 p -131.92 178.61 6.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.49 -141.9 3.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.542 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 43.4 p -78.12 140.88 39.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -99.08 122.51 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -98.74 -49.89 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.68 -28.4 69.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.474 HD13 ' OH ' ' A' ' 46' ' ' TYR . 29.2 tp -55.92 -35.36 66.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.796 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.8 m -78.07 -31.32 50.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.791 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.25 -31.2 60.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 43' ' ' LEU . 42.1 mt -68.0 -45.1 75.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.592 HD23 ' HG ' ' A' ' 79' ' ' LEU . 3.5 mp -68.65 -33.54 74.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.34 -32.48 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -64.06 -48.91 74.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -74.94 -31.64 61.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.52 -32.1 72.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -68.18 -50.91 51.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -94.41 -178.17 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.848 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 m -148.86 174.22 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -147.76 144.09 28.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -53.04 162.48 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.328 179.709 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.13 61.25 2.65 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 107.215 -2.354 . . . . 0.0 107.215 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.747 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.52 -64.11 1.25 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -175.038 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.424 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 3.2 t-80 -74.74 -13.72 60.64 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.468 -177.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.94 -53.32 7.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -120.56 22.24 11.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.504 HG21 ' CZ3' ' A' ' 6' ' ' TRP . 98.3 t -107.21 -52.94 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.424 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 2.9 p 53.33 170.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.542 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -74.62 -46.6 37.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.238 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.15 -56.18 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.375 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -30.48 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.998 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.642 ' O ' HG23 ' A' ' 19' ' ' VAL . 42.2 ttt-85 -64.69 -45.79 85.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -30.94 69.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -31.14 67.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.823 HD21 ' CE1' ' A' ' 65' ' ' TYR . 8.1 mt -79.42 -31.53 42.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.656 HG13 ' OE1' ' A' ' 51' ' ' GLU . 46.3 t -58.89 -30.39 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.034 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -73.24 -29.2 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HG3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.51 -43.19 89.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.806 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 51' ' ' GLU . 22.2 mt -62.4 -31.74 72.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.735 HG13 HD22 ' A' ' 43' ' ' LEU . 25.4 t -73.87 -28.8 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.043 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -73.37 -28.82 62.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.899 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.85 -66.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.192 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 22' ' ' LEU . 2.6 mp -62.28 -31.76 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -139.0 83.07 18.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HG2' HD22 ' A' ' 79' ' ' LEU . 31.7 Cg_exo -58.67 -63.79 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.3 p -59.96 141.39 89.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -77.61 167.27 24.43 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.64 2.227 . . . . 0.0 112.3 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' OD2' ' HB2' ' A' ' 34' ' ' ALA . 35.4 t0 -177.64 110.93 0.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.779 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.55 -27.03 46.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.428 2.085 . . . . 0.0 112.202 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.57 -29.18 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . -58.96 -30.04 67.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.51 -33.75 70.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -84.56 -24.24 29.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.31 157.31 11.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.17 -31.55 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.497 ' NE ' HD12 ' A' ' 43' ' ' LEU . 5.4 tmm_? -57.78 -51.81 68.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 tpt -57.96 -30.32 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -57.22 -39.25 75.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.65 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -79.94 -29.07 39.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.91 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.735 HD22 HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.74 -43.43 90.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.685 HG12 ' HD3' ' A' ' 48' ' ' LYS . 23.0 t -61.15 -59.64 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.83 -41.09 81.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.615 ' O ' HG23 ' A' ' 50' ' ' VAL . 15.3 t80 -60.44 -46.96 88.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.21 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.234 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.685 ' HD3' HG12 ' A' ' 44' ' ' VAL . 15.4 mtpt -68.03 -35.37 78.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -76.2 -36.82 58.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.1 t -75.49 -51.49 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.216 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.656 ' OE1' HG13 ' A' ' 19' ' ' VAL . 12.9 pt-20 -49.34 -46.97 47.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.917 0.389 . . . . 0.0 110.289 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.5 77.53 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.452 -0.88 . . . . 0.0 110.961 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.34 -28.99 47.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.948 0.404 . . . . 0.0 110.309 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -66.92 -45.69 77.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.747 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 43.8 t80 -60.81 -22.68 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.198 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.65 -30.68 17.0 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.133 -0.355 . . . . 0.0 111.694 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.585 ' HB3' HD11 ' A' ' 67' ' ' LEU . 33.3 t -67.36 -48.65 66.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.981 0.419 . . . . 0.0 110.561 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.524 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -75.32 131.08 40.04 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.117 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.474 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 12.4 p30 -99.4 6.48 46.04 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 176.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.83 170.98 17.51 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.339 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.451 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -69.0 -60.36 2.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.8 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.27 -45.73 45.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.703 ' O ' HD23 ' A' ' 67' ' ' LEU . 4.4 tt0 -59.19 -49.5 77.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.274 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.446 ' HA ' ' HB2' ' A' ' 58' ' ' ALA . 25.4 t80 -48.99 -42.98 39.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.773 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.823 ' CE1' HD21 ' A' ' 18' ' ' LEU . 1.1 m-85 -77.94 -25.65 48.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.176 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -74.41 -57.34 4.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.845 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 63' ' ' GLU . 0.9 OUTLIER -68.75 -32.99 73.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.727 0.298 . . . . 0.0 111.097 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 68' ' ' LEU . 10.4 tt -69.34 -31.46 69.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.806 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.74 -35.68 51.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -57.17 -45.39 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 75' ' ' ILE . 6.5 mtpp -60.02 -54.03 50.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 25' ' ' ALA . 30.1 mm -64.55 -31.38 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -70.29 -44.66 67.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.793 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -45.39 64.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 71' ' ' LYS . 10.4 mt -66.45 -32.82 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -64.27 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -29.48 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.47 -24.76 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.488 ' HA ' HD21 ' B' ' 99' ' ' LEU . 35.7 tp -55.49 -39.14 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.271 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -31.06 68.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.961 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.45 -31.28 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.65 ' HG3' HD23 ' B' ' 99' ' ' LEU . 2.4 mmtt -77.28 -28.7 53.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -75.45 -32.36 60.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.32 -3.36 59.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.433 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.7 p -64.16 -11.35 29.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.687 ' C ' HD23 ' A' ' 87' ' ' LEU . 8.0 mpt_? -140.72 -14.11 0.95 Allowed 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.36 0.6 . . . . 0.0 111.926 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.687 HD23 ' C ' ' A' ' 86' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.312 -1.053 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.28 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -106.16 -39.61 5.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.61 158.91 7.81 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.87 -66.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.95 163.66 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -140.38 -48.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.62 -28.87 63.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.51 -36.24 66.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -31.54 50.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.812 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.12 -44.64 72.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.427 HD23 ' CD ' ' A' ' 39' ' ' ARG . 2.1 mp -60.76 -44.48 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.65 HD23 ' HG3' ' A' ' 82' ' ' LYS . 2.5 tp -59.55 -31.11 69.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -61.47 -42.43 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.59 -30.99 69.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -80.42 -43.52 20.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.22 -30.15 70.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 7.5 ttp -58.85 -49.43 77.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -106.72 179.61 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.944 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.5 m -140.54 174.13 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -152.05 143.51 23.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -50.71 160.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.334 179.705 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.5 62.63 2.29 Favored Glycine 0 C--N 1.334 0.466 0 N-CA-C 107.253 -2.339 . . . . 0.0 107.253 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.72 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.4 -64.16 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -174.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 20.5 t60 -77.42 -14.35 59.72 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.654 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -47.6 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -125.9 22.47 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' A' ' 61' ' ' ARG . 74.7 t -106.52 -51.42 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.444 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 3.2 p 53.1 170.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.502 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -74.62 -40.33 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.213 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.91 -56.13 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.446 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -31.05 67.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.938 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.686 ' O ' HG23 ' A' ' 19' ' ' VAL . 9.1 ttt180 -64.6 -47.39 78.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -30.59 68.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -71.86 -30.77 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.583 HD21 ' CZ ' ' A' ' 65' ' ' TYR . 11.8 mt -80.16 -30.45 38.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 15' ' ' ARG . 32.8 t -62.2 -30.77 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -32.1 69.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -59.33 -43.9 92.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -32.15 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -74.81 -29.66 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -29.37 63.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -56.25 -58.2 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.608 ' HB ' HD21 ' A' ' 43' ' ' LEU . 33.1 mt -71.4 -31.02 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.413 ' CE2' ' CD1' ' B' ' 101' ' ' PHE . 0.1 OUTLIER -137.04 83.61 27.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.98 -46.25 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.575 2.183 . . . . 0.0 112.434 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.76 149.86 81.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.12 153.44 67.29 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -161.28 87.59 1.64 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.743 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.98 -26.91 83.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.496 2.131 . . . . 0.0 112.1 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.69 -24.9 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.048 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 31' ' ' ASP . . . -61.8 -31.18 71.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.21 -31.8 69.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.749 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.34 -25.15 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.28 137.68 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -31.24 71.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.67 ' HD2' HD23 ' B' ' 98' ' ' LEU . 0.1 OUTLIER -60.18 -36.86 78.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.649 ' CE ' HD13 ' A' ' 43' ' ' LEU . 2.3 tpt -58.33 -29.41 65.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -34.64 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.728 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -79.93 -30.82 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.808 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.649 HD13 ' CE ' ' A' ' 40' ' ' MET . 0.4 OUTLIER -58.67 -42.74 89.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 t -67.13 -58.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.95 -34.9 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -65.79 -51.02 62.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.23 -31.19 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -64.39 -30.84 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -37.91 57.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.66 -51.93 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.62 -49.12 48.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.892 0.377 . . . . 0.0 110.287 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.84 -29.36 72.11 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.047 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.33 -29.58 47.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.028 0.442 . . . . 0.0 110.227 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.3 mmt -64.44 -38.34 90.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.761 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.72 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 46.7 t80 -68.78 -22.83 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -90.52 -32.95 16.12 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.784 0.326 . . . . 0.0 111.654 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.438 ' HB3' HD11 ' A' ' 67' ' ' LEU . 15.1 t -67.54 -50.26 59.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.894 0.378 . . . . 0.0 110.459 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.527 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -72.16 128.94 37.25 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.868 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 13.1 p-10 -98.45 7.26 46.41 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.8 m -148.63 174.59 11.98 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.212 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.499 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.27 -57.44 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.982 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.99 -37.22 52.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -68.69 -41.14 79.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.723 ' HA ' HD22 ' A' ' 67' ' ' LEU . 28.3 t80 -60.83 -39.32 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.759 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.583 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -77.73 -30.39 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -80.87 -55.71 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.339 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.876 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -53.86 -27.67 31.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.217 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.876 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.5 tt -75.93 -37.78 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -33.58 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.34 -37.88 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 75' ' ' ILE . 1.4 mmmp? -68.41 -55.76 10.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.724 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.566 HG23 ' HB2' ' A' ' 25' ' ' ALA . 13.2 mt -64.73 -30.97 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -68.06 -57.84 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.753 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -45.66 88.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 71' ' ' LYS . 17.3 mt -67.82 -30.64 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -61.21 -44.07 97.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -74.84 -30.85 61.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.51 -29.01 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.709 HD12 ' HG ' ' B' ' 99' ' ' LEU . 7.9 tp -57.47 -30.54 65.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -74.21 -31.19 62.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -31.62 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.791 ' HG3' HD23 ' B' ' 99' ' ' LEU . 5.6 mmtm -68.08 -31.66 71.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -69.64 -44.92 69.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -3.33 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.39 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -9.13 31.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.754 0.312 . . . . 0.0 110.28 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -142.16 -13.79 0.81 Allowed 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.35 0.595 . . . . 0.0 112.047 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--N 1.31 -1.142 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.861 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.426 -0.269 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 59.7 p -171.72 120.23 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.594 ' O ' HG23 ' B' ' 91' ' ' THR . . . -59.64 166.32 9.65 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.594 HG23 ' O ' ' B' ' 90' ' ' GLY . 0.8 OUTLIER -164.7 143.96 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -132.63 101.62 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -31.79 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.08 -28.97 68.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.6 -36.58 67.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.817 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 28.0 m -78.16 -31.08 49.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.83 -38.25 87.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.67 HD23 ' HD2' ' A' ' 39' ' ' ARG . 6.9 mt -73.19 -31.08 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.791 HD23 ' HG3' ' A' ' 82' ' ' LYS . 5.0 tp -76.45 -37.57 56.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.71 -30.22 70.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.413 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 5.6 t80 -58.47 -54.91 41.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 93.7 p -77.26 -38.18 51.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.79 71.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 24.0 tpp -81.67 -39.14 24.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.58 -32.72 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' C ' HG23 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.4 t 59.77 170.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.521 ' H ' HG12 ' A' ' 2' ' ' VAL . 6.1 mtp180 -117.64 31.96 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 9.7 mtmm 61.79 4.81 1.17 Allowed 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 36.51 41.64 0.57 Allowed Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.679 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -74.87 -64.28 1.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -175.228 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.566 ' CE1' ' OH ' ' A' ' 55' ' ' TYR . 24.1 m-70 -80.48 -13.82 58.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HG2' ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.64 -48.06 10.5 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -178.58 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.411 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -126.84 21.38 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.569 HG21 ' CZ3' ' A' ' 6' ' ' TRP . 71.6 t -109.51 -50.5 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p 48.67 -179.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.63 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -74.89 -52.51 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.608 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.26 -56.12 25.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.783 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -29.74 67.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.057 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -68.84 -51.62 38.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -59.5 -30.72 68.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -64.6 -30.75 71.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.758 HD21 ' CE1' ' A' ' 65' ' ' TYR . 11.9 mt -81.36 -29.25 34.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.446 HG13 ' HG2' ' A' ' 51' ' ' GLU . 40.9 t -58.44 -30.57 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.078 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -61.28 -28.55 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.85 -42.48 84.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.4 mm? -62.11 -34.55 76.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.764 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.9 t -74.07 -29.86 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.83 -28.29 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.824 ' HB2' HD12 ' A' ' 72' ' ' ILE . . . -58.96 -66.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.157 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 22' ' ' LEU . 3.9 mp -62.9 -30.54 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.85 84.84 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.41 -46.21 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.613 2.209 . . . . 0.0 112.387 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.428 HG21 ' OXT' ' B' ' 106' ' ' SER . 13.0 p -74.14 148.0 86.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.44 146.31 49.85 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.595 2.197 . . . . 0.0 112.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.13 92.05 3.32 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.58 -25.15 75.39 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.387 2.058 . . . . 0.0 112.18 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.23 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.16 75.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.62 -31.34 68.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.667 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -85.08 -24.25 28.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.31 146.56 47.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -73.14 -30.82 63.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.711 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.61 -37.38 81.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -30.22 61.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.81 -33.72 68.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.619 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -79.94 -30.75 39.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.776 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.711 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -58.77 -44.93 90.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -60.29 -58.53 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.019 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.8 -39.84 71.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.674 ' CZ ' HD23 ' B' ' 95' ' ' LEU . 31.8 t80 -62.75 -57.54 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.764 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 22' ' ' LEU . . . -60.18 -42.1 94.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -60.15 -30.98 69.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -44.28 54.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -68.05 -54.04 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HG2' HG13 ' A' ' 19' ' ' VAL . 2.7 pp20? -50.32 -46.67 55.67 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.21 -29.3 74.05 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.374 -0.917 . . . . 0.0 110.907 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -78.31 -29.79 47.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.007 0.432 . . . . 0.0 110.17 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.546 ' HG3' HD12 ' A' ' 68' ' ' LEU . 18.1 mmt -65.4 -33.04 75.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.679 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 43.0 t80 -74.79 -22.65 58.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.164 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.27 -22.57 21.54 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 122.194 -0.316 . . . . 0.0 111.828 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.1 t -81.67 -42.07 20.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.995 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.554 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -75.29 125.37 28.83 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.444 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.54 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.5 p-10 -88.38 2.54 52.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.31 162.44 37.73 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.566 ' HG3' HG22 ' A' ' 10' ' ' VAL . 3.9 ttp180 -59.62 -49.58 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.48 -48.68 47.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -64.81 -36.08 83.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.712 ' HA ' HD22 ' A' ' 67' ' ' LEU . 28.1 t80 -61.66 -39.37 91.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.781 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.758 ' CE1' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -77.71 -30.11 51.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -80.81 -57.11 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.903 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.62 -27.64 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.903 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.3 tp -78.81 -41.45 30.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.16 90.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.094 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -58.8 -43.06 90.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 75' ' ' ILE . 5.0 mtpt -64.14 -55.74 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.824 HD12 ' HB2' ' A' ' 25' ' ' ALA . 32.2 mm -64.17 -29.21 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.69 -52.55 36.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.818 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -45.53 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.489 HD12 ' O ' ' A' ' 71' ' ' LYS . 16.3 mt -63.26 -29.94 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.17 -54.74 43.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.72 -29.86 70.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -26.26 62.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.015 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.766 ' HA ' HD11 ' B' ' 99' ' ' LEU . 2.3 tt -54.66 -52.67 61.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.029 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -30.76 46.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.2 -28.05 69.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.649 ' CG ' HD12 ' B' ' 99' ' ' LEU . 0.1 OUTLIER -69.85 -27.1 64.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.008 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -63.45 -42.73 98.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.539 ' O ' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -87.39 -3.24 59.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.465 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.1 m -62.04 -13.55 27.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -140.42 -13.54 1.01 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.317 0.579 . . . . 0.0 111.831 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.7 mp . . . . . 0 C--N 1.309 -1.154 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 t -135.67 -56.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.38 178.5 22.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.43 -69.11 0.16 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.702 0.287 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.5 82.16 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -131.45 -68.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.07 -26.47 68.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 46' ' ' TYR . 0.5 OUTLIER -55.13 -33.05 62.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.859 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 28.4 p -78.02 -35.44 49.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -78.72 -31.32 46.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.519 ' HB3' HG21 ' A' ' 26' ' ' ILE . 6.4 mt -78.4 -44.37 25.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.766 HD11 ' HA ' ' A' ' 79' ' ' LEU . 2.5 tm? -59.29 -38.55 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -66.11 -36.53 83.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.433 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 16.0 t80 -60.17 -34.34 73.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.4 t -86.19 -34.99 20.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.62 -31.47 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.1 mmm -63.14 -58.77 6.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -101.93 105.57 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.428 ' OXT' HG21 ' A' ' 29' ' ' THR . 1.6 m . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 m -124.24 178.13 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.99 34.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.628 ' O ' ' O ' ' A' ' 59' ' ' ASN . 2.9 mtmm 62.18 5.62 1.56 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.339 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 32.03 45.91 0.2 Allowed Glycine 0 C--N 1.347 1.14 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -81.02 -64.31 1.22 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -175.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -74.25 -12.09 60.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.43 -53.39 5.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -177.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HB3' ' HG3' ' A' ' 61' ' ' ARG . 48.4 t-80 -138.48 34.09 2.26 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.824 HG22 ' HG2' ' A' ' 61' ' ' ARG . 5.1 t -100.71 -62.29 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.806 177.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p 55.44 169.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.315 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -74.33 -36.13 63.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.63 -56.02 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.54 -37.07 85.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.666 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.8 tmm_? -65.45 -47.59 75.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 t -58.26 -30.79 66.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -73.45 -29.86 62.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 64' ' ' TYR . 1.4 mt -81.84 -30.33 32.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 15' ' ' ARG . 49.1 t -57.57 -31.42 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -71.99 -29.24 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.823 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -57.84 -41.49 82.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.719 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -36.25 78.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.2 t -77.4 -30.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -73.33 -31.43 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.808 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -59.34 -47.12 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.957 HD12 HD21 ' A' ' 43' ' ' LEU . 30.6 mt -74.4 -38.59 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -132.43 73.02 77.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.42 -62.72 0.24 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.612 2.208 . . . . 0.0 112.343 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 p -59.91 148.12 77.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.32 146.45 50.79 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.518 2.145 . . . . 0.0 112.317 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.7 t70 -150.92 91.9 3.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.59 -25.88 75.66 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.413 2.075 . . . . 0.0 112.149 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.32 40.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.83 -33.4 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.96 -31.77 70.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.98 -25.34 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.08 142.56 51.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.8 -29.74 68.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.84 -39.77 82.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.942 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 42.1 tpp -59.5 -29.11 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -56.68 -31.62 64.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.91 -32.99 40.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.812 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.957 HD21 HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -60.8 -43.15 98.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.478 HG12 ' CD ' ' A' ' 48' ' ' LYS . 23.9 t -60.3 -58.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.6 73.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.682 ' O ' HG23 ' A' ' 50' ' ' VAL . 76.1 t80 -60.13 -56.83 16.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.785 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.04 -29.4 70.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CD ' HG12 ' A' ' 44' ' ' VAL . 7.5 mtpm? -65.69 -39.0 90.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -80.83 -36.42 31.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.055 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.0 t -75.61 -46.0 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.391 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -48.47 -47.11 38.7 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.759 0.314 . . . . 0.0 110.377 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.25 -32.63 83.33 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.42 -0.895 . . . . 0.0 110.955 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.5 -28.11 46.28 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.027 0.441 . . . . 0.0 110.359 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -73.59 -35.45 65.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.827 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 4.2 t80 -67.52 -54.85 16.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.59 -30.49 65.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.834 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.52 -27.83 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.401 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.467 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -94.92 127.46 40.98 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.877 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.628 ' O ' ' O ' ' A' ' 4' ' ' LYS . 3.3 m-20 -77.83 -5.24 50.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 176.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.452 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 52.9 m -153.99 178.7 9.65 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.172 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.824 ' HG2' HG22 ' A' ' 10' ' ' VAL . 1.1 tmm_? -67.19 -60.3 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.82 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -46.78 -48.56 20.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.58 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.88 -34.86 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.091 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.762 ' CE2' HD13 ' A' ' 18' ' ' LEU . 28.6 t80 -67.0 -29.68 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.062 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -43.27 31.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.144 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -79.36 -30.09 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.89 -54.7 8.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.595 HD22 HD11 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -58.58 -36.54 74.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.65 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.203 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -43.01 88.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.498 ' O ' HD12 ' A' ' 75' ' ' ILE . 14.3 mmmm -62.61 -55.84 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.721 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.808 HG23 ' HB2' ' A' ' 25' ' ' ALA . 7.3 mt -63.19 -31.58 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.715 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -73.18 -37.73 66.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.703 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -78.5 -45.31 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 71' ' ' LYS . 7.8 mt -65.81 -32.99 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.11 -54.03 50.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -31.05 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.8 -31.56 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.568 ' HA ' HD21 ' B' ' 99' ' ' LEU . 4.1 tt -59.12 -31.4 68.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.34 -31.28 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.81 -31.26 70.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -60.21 -31.6 70.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.95 -42.87 25.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -3.47 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.316 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -63.16 -12.61 28.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -139.15 -13.71 1.18 Allowed 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.369 0.604 . . . . 0.0 111.77 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.31 -1.133 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.943 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.0 t -89.22 106.55 18.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.63 57.13 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 3.3 p -143.61 179.24 7.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.31 131.7 39.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -105.82 -33.68 7.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.93 -28.94 49.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.54 -36.81 67.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.842 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 81.1 p -78.15 -31.19 49.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.756 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.39 -36.06 77.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -79.99 -31.26 39.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.568 HD21 ' HA ' ' A' ' 79' ' ' LEU . 9.0 tp -61.37 -48.38 81.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.03 -32.67 71.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.43 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 45.3 t80 -60.58 -42.4 96.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -72.38 -31.79 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.86 -38.44 57.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 12.5 mmt -63.96 -47.77 79.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -134.12 109.55 9.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.887 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.5 173.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.095 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -179.3 146.77 0.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HD3' ' HB2' ' A' ' 59' ' ' ASN . 0.9 OUTLIER -50.44 163.04 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.253 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.29 63.88 2.12 Favored Glycine 0 C--N 1.334 0.422 0 N-CA-C 107.144 -2.382 . . . . 0.0 107.144 175.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.686 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.01 -64.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -174.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 11.1 t60 -69.22 -13.62 62.51 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.434 -177.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.91 -53.17 7.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.555 ' O ' HD13 ' A' ' 14' ' ' LEU . 16.0 t60 -122.42 24.67 9.21 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.835 HG22 ' CZ ' ' A' ' 61' ' ' ARG . 97.1 t -108.82 -56.08 4.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.438 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 1.0 OUTLIER 46.34 -174.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.621 178.624 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.05 -47.45 28.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.454 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -56.33 20.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.813 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -65.8 -42.6 90.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.309 . . . . 0.0 110.972 -179.562 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.556 ' HB2' HG12 ' A' ' 10' ' ' VAL . 71.4 ttt180 -60.04 -50.98 71.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.818 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -58.32 -39.51 79.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -59.25 -28.89 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.992 HD23 HD13 ' A' ' 68' ' ' LEU . 3.6 mp -82.38 -29.75 30.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.64 -36.67 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -62.14 -31.28 71.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.723 ' HG2' HD13 ' A' ' 72' ' ' ILE . 6.1 tttt -60.09 -44.65 94.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -60.67 -38.02 83.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.5 t -65.79 -29.76 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG3' ' HA ' ' A' ' 28' ' ' PRO . 3.1 tt0 -73.32 -29.96 63.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.522 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -57.16 -54.12 50.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 43' ' ' LEU . 30.8 mt -74.27 -41.67 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 29' ' ' THR . 6.9 t80 -130.9 82.76 63.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.726 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 78.2 Cg_exo -50.57 -62.6 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.707 2.272 . . . . 0.0 112.556 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.408 ' O ' ' CZ ' ' A' ' 27' ' ' PHE . 1.1 p -81.43 140.41 48.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -77.97 179.23 6.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.562 2.175 . . . . 0.0 112.321 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -178.01 130.32 0.3 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.33 -29.8 20.59 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.393 2.062 . . . . 0.0 112.23 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.77 -30.98 40.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.06 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.38 -30.45 64.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -88.18 -24.04 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.38 161.53 4.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -29.19 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.125 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.549 ' CD ' HD23 ' B' ' 98' ' ' LEU . 5.8 tmm_? -56.16 -47.11 78.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.028 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.438 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -57.99 -32.18 67.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.34 -40.26 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.564 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -80.03 -30.02 39.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.741 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -59.93 -43.79 94.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 40' ' ' MET . 33.2 t -61.94 -59.34 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.62 95.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.735 ' O ' HG23 ' A' ' 50' ' ' VAL . 31.2 t80 -59.79 -51.74 68.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.42 -28.33 69.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -69.14 -37.5 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.053 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -80.64 -36.1 33.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.039 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 46' ' ' TYR . 23.5 t -75.43 -46.15 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.208 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -49.67 -46.15 49.51 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.53 -31.45 77.68 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.417 -0.897 . . . . 0.0 110.87 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.43 -29.3 46.97 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.992 0.425 . . . . 0.0 110.165 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.4 mmt -77.19 -50.18 13.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.686 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 24.6 t80 -61.93 -23.11 66.15 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.217 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.28 -27.26 20.68 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 t -54.38 -24.37 19.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -99.01 137.15 37.95 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.506 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.471 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 5.7 p-10 -102.87 2.72 35.7 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 m -145.32 176.88 9.23 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.614 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.835 ' CZ ' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.37 -59.6 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.175 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.63 -29.69 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.513 ' HG3' HD23 ' A' ' 67' ' ' LEU . 18.0 tp10 -68.71 -36.99 79.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CE2' HD22 ' A' ' 18' ' ' LEU . 12.0 t80 -68.97 -38.37 79.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.993 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.453 ' OH ' HD21 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -71.12 -29.77 65.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -80.88 -57.11 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 58' ' ' ALA . 4.0 pp -59.18 -29.8 67.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.992 HD13 HD23 ' A' ' 18' ' ' LEU . 4.5 tt -69.07 -52.08 32.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.24 -38.39 73.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.73 -38.6 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.802 ' HE3' HD11 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -69.27 -55.86 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.723 HD13 ' HG2' ' A' ' 21' ' ' LYS . 3.9 mt -63.98 -31.34 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -64.83 -42.89 94.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.708 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -76.63 -43.2 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.948 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.802 HD11 ' HE3' ' A' ' 71' ' ' LYS . 8.3 mt -66.68 -33.82 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -61.03 -41.15 96.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -77.54 -29.56 52.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.7 -31.04 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.575 ' HA ' HD21 ' B' ' 99' ' ' LEU . 1.1 tt -59.28 -31.31 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -70.52 -31.16 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -60.18 -34.01 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.45 ' HG3' HD23 ' B' ' 99' ' ' LEU . 12.1 mmtt -68.73 -32.17 71.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.8 tpt85 -74.79 -41.92 59.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -3.32 47.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.316 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.9 p -64.12 -11.45 30.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.796 0.331 . . . . 0.0 110.161 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -140.78 -14.0 0.95 Allowed 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.29 0.567 . . . . 0.0 111.876 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.31 -1.151 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.9 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.6 t -173.95 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.07 -44.55 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.54 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.52 -69.06 0.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.737 0.303 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.4 136.76 25.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -124.01 31.7 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -79.21 -28.62 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.73 HD21 ' OH ' ' A' ' 46' ' ' TYR . 6.7 mt -55.67 -36.57 67.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.81 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 30.1 t -78.07 -31.13 50.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.01 -40.99 95.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.549 HD23 ' CD ' ' A' ' 39' ' ' ARG . 1.7 mp -76.08 -42.51 47.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' A' ' 79' ' ' LEU . 6.0 tp -58.94 -30.16 67.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -62.01 -46.81 87.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.82 -42.51 93.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 72.8 m -75.22 -39.85 59.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.52 -34.29 72.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -31.62 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -131.71 112.3 12.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.928 179.918 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.4 t -142.53 170.61 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.54 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -99.41 42.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.533 ' O ' ' C ' ' A' ' 5' ' ' GLY . 3.9 mtmm 61.46 4.62 1.01 Allowed 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.498 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 33.22 44.05 0.24 Allowed Glycine 0 C--N 1.347 1.142 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.705 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -80.25 -64.16 1.25 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.551 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -74.78 -12.1 60.32 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.29 -52.8 5.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -177.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -137.85 36.33 2.39 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -179.013 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 6' ' ' TRP . 1.7 t -117.69 -52.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p 50.62 175.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.604 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -74.71 -41.51 60.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.266 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -57.69 -56.27 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.497 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -33.37 73.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.806 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.884 ' O ' HG23 ' A' ' 19' ' ' VAL . 24.8 ttm180 -60.46 -32.24 71.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 -37.57 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.786 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -65.24 -37.31 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.74 HD13 ' CE2' ' A' ' 64' ' ' TYR . 8.3 mt -69.74 -31.98 70.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.796 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 15' ' ' ARG . 44.3 t -63.72 -29.84 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.05 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -69.56 -32.08 70.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.741 ' HE3' HD23 ' A' ' 68' ' ' LEU . 9.8 mtpp -59.44 -43.87 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.808 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -32.11 70.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.6 t -77.31 -31.04 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -72.73 -34.59 67.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.792 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.0 -47.5 82.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.981 HG23 HD12 ' B' ' 99' ' ' LEU . 33.9 mt -71.54 -30.57 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.011 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' B' ' 102' ' ' SER . 0.3 OUTLIER -148.18 85.06 6.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.61 -46.04 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.562 2.175 . . . . 0.0 112.363 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.7 p -67.66 146.73 98.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.34 146.45 40.09 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.605 2.204 . . . . 0.0 112.284 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.421 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 3.9 t0 -151.25 89.87 4.16 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.753 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 28.0 Cg_endo -62.73 -25.81 75.06 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.432 2.088 . . . . 0.0 112.165 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -24.45 41.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . . . -71.72 -36.77 70.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.113 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.28 -31.68 65.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -87.04 -24.97 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.86 137.81 49.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -59.39 -27.56 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.06 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.477 ' NH2' HD12 ' A' ' 43' ' ' LEU . 2.6 tmm_? -52.01 -51.19 58.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -26.47 60.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.3 -33.23 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -79.9 -31.12 40.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.717 HD21 HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -59.74 -52.36 65.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.935 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.5 -58.95 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.86 67.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.606 ' O ' HG23 ' A' ' 50' ' ' VAL . 34.3 t80 -61.79 -47.88 83.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.742 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.23 63.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -35.69 80.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.109 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -80.85 -36.23 31.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.027 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 46' ' ' TYR . 21.4 t -75.55 -46.0 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.88 -46.79 43.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.785 0.326 . . . . 0.0 110.237 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.8 -32.04 80.36 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.298 -0.953 . . . . 0.0 110.859 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.47 -27.01 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.007 0.432 . . . . 0.0 110.272 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 31.4 mmt -78.15 -39.23 41.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.622 ' O ' ' HZ2' ' A' ' 6' ' ' TRP . 4.9 t80 -68.4 -54.76 15.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.735 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -48.95 -36.28 17.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.3 t -51.81 -54.34 29.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 111.394 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 64' ' ' TYR . . . -64.29 128.38 35.55 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.219 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.53 ' O ' ' O ' ' A' ' 4' ' ' LYS . 1.4 p30 -84.13 -1.99 56.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.43 -172.71 4.32 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.786 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HG3' HG22 ' A' ' 10' ' ' VAL . 10.1 ttp85 -72.96 -55.43 6.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.7 -53.15 51.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.483 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.52 -25.31 16.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.245 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.74 ' CE2' HD13 ' A' ' 18' ' ' LEU . 10.6 t80 -79.03 -44.8 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.433 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -66.12 -27.18 67.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.34 -57.07 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.11 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 68' ' ' LEU . 3.9 pp -58.9 -30.54 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.101 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.741 HD23 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -64.51 -36.25 83.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.65 99.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.96 -45.46 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.691 ' HD3' HD11 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -63.04 -55.87 21.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.792 HG23 ' HB2' ' A' ' 25' ' ' ALA . 4.2 mt -60.9 -30.77 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -75.16 -57.25 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -57.94 -48.2 80.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.691 HD11 ' HD3' ' A' ' 71' ' ' LYS . 17.9 mt -62.93 -29.92 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.176 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -66.32 -50.7 62.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -77.52 -31.13 53.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -61.28 -30.83 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.677 ' HA ' HD23 ' B' ' 99' ' ' LEU . 7.9 tp -59.21 -31.1 68.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.23 -31.0 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.06 -32.52 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -39.64 92.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 ttt85 -60.04 -43.01 95.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -79.58 -3.42 46.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.427 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 t -65.0 -9.93 25.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 0.0 110.312 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -143.46 -13.68 0.68 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.331 0.586 . . . . 0.0 112.073 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.311 -1.105 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.91 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.1 m -168.46 132.6 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.409 ' O ' HG23 ' B' ' 91' ' ' THR . . . 153.65 102.0 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.509 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.409 HG23 ' O ' ' B' ' 90' ' ' GLY . 1.8 p -156.86 -74.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -121.93 143.49 49.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.51 30.46 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -79.54 -28.69 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.529 HD23 ' C ' ' B' ' 95' ' ' LEU . 8.6 tt -55.29 -33.0 62.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.829 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.6 m -78.16 -34.51 49.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.67 -31.01 46.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.717 HD21 ' HA ' ' A' ' 43' ' ' LEU . 12.0 tp -74.66 -34.84 62.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.981 HD12 HG23 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -80.28 -29.16 38.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.012 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.52 -48.81 78.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.41 ' CD2' ' HG3' ' A' ' 39' ' ' ARG . 22.3 t80 -59.57 -31.31 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' SER . . . . . 0.41 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 1.2 m -81.04 -31.5 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.43 -31.0 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.2 ttp -60.1 -31.42 70.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -97.93 36.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.51 ' C ' HG23 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.711 -0.156 . . . . 0.0 112.711 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.523 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.4 t 65.1 170.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.966 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.523 ' H ' HG12 ' A' ' 2' ' ' VAL . 5.8 mtt-85 60.97 163.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -50.83 159.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.501 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.82 64.5 1.89 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 107.153 -2.379 . . . . 0.0 107.153 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.679 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.7 -65.29 1.03 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 -174.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.45 -13.06 25.93 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.001 -0.999 . . . . 0.0 113.48 -177.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.38 -52.59 7.58 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -177.659 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.401 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 44.7 t-80 -133.94 37.39 3.24 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.679 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -112.98 -46.19 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.788 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p 47.55 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.711 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -52.58 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.579 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.66 -56.29 22.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.761 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.6 68.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 111.024 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 19' ' ' VAL . 78.1 ttt180 -69.06 -52.18 31.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.705 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -60.44 -38.59 84.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -59.59 -31.42 69.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.831 HD13 ' CE2' ' A' ' 64' ' ' TYR . 5.9 mt -77.28 -33.16 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.782 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 15' ' ' ARG . 39.3 t -59.74 -31.23 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.456 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 1.1 t-80 -65.66 -28.94 69.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.808 ' CB ' HD21 ' A' ' 68' ' ' LEU . 20.5 mmtt -57.77 -45.33 86.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.446 HD11 ' HG3' ' A' ' 54' ' ' MET . 2.5 mp -60.28 -32.12 70.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.763 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.8 t -73.57 -30.25 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -71.43 -31.28 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB1' ' HB ' ' A' ' 75' ' ' ILE . . . -58.12 -38.14 75.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 1.086 HD12 HD21 ' A' ' 43' ' ' LEU . 28.4 mt -87.53 -32.02 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 29' ' ' THR . 9.9 t80 -141.48 78.68 18.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.767 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.8 -62.17 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.686 2.258 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.408 ' O ' ' CZ ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -69.24 136.36 89.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.71 175.5 11.29 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.496 2.13 . . . . 0.0 112.27 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -177.17 130.29 0.34 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 -27.17 24.46 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.482 2.121 . . . . 0.0 112.293 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.62 -29.58 41.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.27 -47.96 83.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.54 -27.82 58.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.74 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -93.26 -22.24 19.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 151.72 15.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.855 0.359 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -73.11 -29.69 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.597 ' NH1' HD12 ' A' ' 43' ' ' LEU . 2.6 ppt_? -62.09 -34.5 76.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.953 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.468 ' HE3' HD13 ' A' ' 43' ' ' LEU . 1.2 tpt -59.95 -29.48 68.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -56.74 -34.0 67.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -79.97 -31.19 39.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.086 HD21 HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -63.62 -42.67 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 40' ' ' MET . 21.8 t -59.34 -59.38 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.35 76.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.498 ' O ' HG23 ' A' ' 50' ' ' VAL . 33.9 t80 -67.37 -51.8 47.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.53 -30.98 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -64.61 -32.18 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -40.93 24.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.3 t -75.54 -44.77 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.88 -42.84 48.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.887 0.375 . . . . 0.0 110.269 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.76 81.53 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.446 -0.883 . . . . 0.0 110.917 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -78.51 -28.39 46.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.957 0.408 . . . . 0.0 110.245 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.446 ' HG3' HD11 ' A' ' 22' ' ' LEU . 26.9 mmt -70.42 -49.74 45.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.547 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 9.2 t80 -57.31 -54.11 50.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.13 -39.35 63.42 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.695 ' HB3' HD22 ' A' ' 67' ' ' LEU . 36.1 t -47.07 -29.05 1.96 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 111.394 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -93.03 134.98 34.62 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.621 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.456 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 8.5 p-10 -97.24 0.8 48.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m -148.42 -178.75 6.49 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.708 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.544 ' HG2' HG22 ' A' ' 10' ' ' VAL . 3.5 tmm_? -74.41 -55.76 5.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -55.86 -42.04 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -59.06 -31.3 68.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.831 ' CE2' HD13 ' A' ' 18' ' ' LEU . 9.4 t80 -76.02 -30.47 58.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.435 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -76.68 -28.8 56.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.983 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -80.9 -51.96 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.778 HD12 ' N ' ' A' ' 68' ' ' LEU . 4.4 pp -57.77 -29.93 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.064 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.808 HD21 ' CB ' ' A' ' 21' ' ' LYS . 4.8 tt -68.91 -53.08 23.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.533 ' HA ' HG22 ' A' ' 72' ' ' ILE . . . -61.86 -22.46 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.83 -37.93 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 110.407 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.663 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -82.05 -41.74 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.685 HD12 ' HB3' ' A' ' 21' ' ' LYS . 8.3 tt -58.68 -40.36 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 110.986 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.17 -32.18 61.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.68 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -70.18 -56.25 7.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.663 HD12 ' O ' ' A' ' 71' ' ' LYS . 3.5 mt -63.35 -29.97 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.08 -31.22 68.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -75.83 -31.14 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -61.26 -31.48 71.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.646 ' HG ' HD11 ' B' ' 99' ' ' LEU . 8.3 mt -59.83 -31.39 69.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.22 -31.6 72.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.06 -31.38 72.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.494 ' HG2' HD23 ' B' ' 99' ' ' LEU . 8.6 mmtm -67.37 -49.98 61.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -61.33 -40.04 92.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -3.28 54.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.329 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.9 t -65.82 -9.66 30.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.761 0.315 . . . . 0.0 110.33 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -142.27 -13.84 0.79 Allowed 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.308 0.575 . . . . 0.0 112.008 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.706 HD23 ' OXT' ' A' ' 87' ' ' LEU . 1.7 tt . . . . . 0 C--N 1.31 -1.138 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 17.8 t -64.0 -41.64 97.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 104.99 130.27 6.73 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -111.16 -36.76 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.96 156.27 21.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -108.76 -31.45 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.05 -28.82 68.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.48 -35.53 65.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 36.5 m -78.05 -31.36 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.809 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.47 -43.04 77.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.71 -35.61 72.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.646 HD11 ' HG ' ' A' ' 79' ' ' LEU . 7.6 tp -69.74 -33.18 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.32 -36.15 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.456 ' CD2' ' NE ' ' A' ' 39' ' ' ARG . 83.0 t80 -63.85 -47.41 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 70.8 m -67.66 -37.62 82.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.67 -40.35 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 15.3 ttm -77.29 -60.04 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -101.64 106.46 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.868 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 m -121.72 179.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.79 0.329 . . . . 0.0 111.172 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.39 152.66 20.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -53.08 160.58 0.99 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.342 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.68 60.83 2.48 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 107.34 -2.304 . . . . 0.0 107.34 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.18 -64.34 1.2 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -175.071 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.669 ' CE1' ' HH ' ' A' ' 55' ' ' TYR . 39.6 m80 -74.65 -12.88 60.55 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.459 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.81 -53.1 6.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -177.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.411 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 4.9 m170 -123.72 19.55 9.44 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 6' ' ' TRP . 87.5 t -103.1 -56.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' VAL . 1.3 p 53.71 164.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.546 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -74.87 -48.22 26.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.692 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.39 -56.27 22.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.812 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 10' ' ' VAL . 6.9 tt -63.19 -29.71 71.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.072 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.68 ' O ' HG23 ' A' ' 19' ' ' VAL . 12.0 ttm180 -65.49 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -31.5 69.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -72.12 -31.64 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.839 HD21 ' CE1' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -78.72 -30.94 46.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 15' ' ' ARG . 47.3 t -58.64 -29.57 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -72.22 -27.91 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -57.44 -46.21 83.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.421 ' CD1' HD11 ' A' ' 68' ' ' LEU . 4.0 mp -59.73 -31.83 69.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.8 t -74.13 -29.71 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -70.82 -26.78 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.859 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -56.84 -64.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.166 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.522 ' CD1' HD21 ' A' ' 43' ' ' LEU . 5.1 mt -63.13 -30.77 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.69 85.04 17.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.51 -46.23 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.58 2.186 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.19 148.4 86.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.18 146.54 51.79 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.548 2.165 . . . . 0.0 112.322 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 32' ' ' PRO . 34.0 t0 -152.88 89.83 3.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 25.7 Cg_endo -62.07 -26.21 78.07 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.471 2.114 . . . . 0.0 112.135 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.59 -26.06 41.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.059 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.12 77.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.08 -31.4 67.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.744 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -85.43 -24.11 27.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.83 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.67 145.22 55.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -30.0 66.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.686 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -59.34 -38.94 81.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -30.03 64.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -57.3 -32.84 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.803 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -79.95 -30.98 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.759 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.686 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -59.65 -47.04 87.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.3 t -59.79 -58.98 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.27 67.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.621 ' OH ' HD21 ' B' ' 95' ' ' LEU . 20.2 t80 -69.12 -56.47 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.34 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -60.62 -30.83 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -42.22 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.707 HG12 ' SD ' ' A' ' 54' ' ' MET . 22.6 t -70.8 -53.35 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.91 -46.72 52.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.858 0.361 . . . . 0.0 110.122 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.9 -29.73 73.25 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.34 -0.933 . . . . 0.0 110.915 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.2 -29.42 57.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.035 0.445 . . . . 0.0 110.098 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.707 ' SD ' HG12 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -65.88 -31.65 72.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.693 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.669 ' HH ' ' CE1' ' A' ' 7' ' ' HIS . 27.6 t80 -78.4 -23.24 46.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.036 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.45 -25.43 20.34 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.74 0.305 . . . . 0.0 111.409 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.401 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 1.2 m -78.7 -34.96 45.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.011 0.434 . . . . 0.0 110.154 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.529 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -86.6 128.31 34.98 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.799 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.476 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 12.6 p30 -97.61 4.91 50.07 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -152.28 157.2 41.05 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.732 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' HD3' ' CB ' ' A' ' 9' ' ' HIS . 5.1 ttt85 -58.13 -50.83 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.785 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -50.06 -48.9 52.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.06 -36.86 85.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.558 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.649 ' HA ' HD22 ' A' ' 67' ' ' LEU . 28.0 t80 -61.24 -41.15 96.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.829 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.839 ' CE1' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.69 -29.29 51.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.038 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 39.4 m170 -80.67 -57.08 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.896 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.24 -27.75 62.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.049 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.896 ' N ' HD23 ' A' ' 67' ' ' LEU . 10.1 tt -74.12 -31.0 62.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.59 78.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -40.73 84.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -65.6 -55.8 15.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.765 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.859 HG23 ' HB2' ' A' ' 25' ' ' ALA . 47.5 mt -64.21 -31.73 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -72.3 -48.58 41.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.783 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -63.18 -45.26 92.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 71' ' ' LYS . 11.5 mt -67.64 -34.32 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -35.72 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -31.65 63.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.85 -30.89 71.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' HA ' HD21 ' B' ' 99' ' ' LEU . 0.7 OUTLIER -59.99 -31.68 70.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.954 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -62.62 -33.02 74.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.04 -31.62 72.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -72.18 -30.66 65.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -65.43 -30.27 71.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -86.2 -3.37 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.41 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.5 p -63.58 -11.07 21.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.752 0.31 . . . . 0.0 110.332 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -143.3 -14.03 0.69 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.314 0.578 . . . . 0.0 112.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--N 1.309 -1.165 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.884 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.53 80.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.342 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.688 ' O ' HG23 ' B' ' 91' ' ' THR . . . -135.52 -80.76 0.12 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.544 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.688 HG23 ' O ' ' B' ' 90' ' ' GLY . 0.8 OUTLIER -169.01 149.21 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.723 ' HB2' HD12 ' B' ' 95' ' ' LEU . 3.3 p-10 -129.35 88.06 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -110.15 -31.14 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -59.66 -29.6 68.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.723 HD12 ' HB2' ' B' ' 92' ' ' ASP . 2.1 mt -55.81 -36.61 67.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.799 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -31.33 50.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.8 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -44.44 69.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.448 ' HB3' HG21 ' A' ' 26' ' ' ILE . 34.6 mt -60.79 -36.88 80.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' ' 79' ' ' LEU . 10.2 tp -80.27 -32.7 38.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -60.72 -45.07 95.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -60.13 -34.71 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.9 m -76.31 -31.53 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.63 -30.69 68.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -31.77 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -130.71 99.12 4.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.889 -179.935 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.546 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.5 t -121.08 170.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.546 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -138.66 37.46 2.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.4 mtmm 61.64 6.92 1.69 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.724 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 32.25 45.23 0.19 Allowed Glycine 0 C--N 1.347 1.165 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.706 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.27 -64.18 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -175.261 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.415 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 62.5 t-80 -75.48 -13.33 60.37 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -52.67 7.94 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.461 ' O ' HD22 ' A' ' 14' ' ' LEU . 7.7 t60 -127.37 38.49 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 6' ' ' TRP . 47.8 t -121.12 -56.74 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.415 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 0.8 OUTLIER 44.44 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.935 178.26 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -75.16 -47.63 27.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.516 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.88 -56.37 23.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.965 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.839 HD23 ' NH2' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -62.26 -29.74 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.972 -179.652 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -69.65 -53.43 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.706 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -56.53 -37.73 70.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -62.13 -29.81 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.781 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' A' ' 65' ' ' TYR . 9.6 mt -80.99 -29.91 35.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.55 ' O ' HG23 ' A' ' 23' ' ' VAL . 56.8 t -56.06 -40.91 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -60.59 -48.6 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.621 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -59.4 -32.96 70.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.5 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.774 HD23 ' HB1' ' A' ' 47' ' ' ALA . 16.2 tp -68.15 -34.34 76.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.423 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 19' ' ' VAL . 44.3 t -77.32 -29.01 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.93 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -25.58 66.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.94 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -52.51 -45.4 66.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.144 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.562 HD13 HD21 ' A' ' 43' ' ' LEU . 4.3 mp -87.61 -31.39 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -134.78 76.22 60.38 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.757 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.12 -63.24 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.665 2.243 . . . . 0.0 112.598 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 p -69.53 153.24 95.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.994 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.63 160.83 41.39 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.655 2.236 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 3.9 t70 -163.52 88.52 1.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 23.0 Cg_endo -61.37 -25.82 80.64 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.428 2.086 . . . . 0.0 112.182 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.65 -24.42 41.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.013 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.98 81.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.42 -30.78 63.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -85.48 -24.78 27.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.858 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.66 133.81 52.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -60.24 -29.38 68.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.681 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.39 -38.52 77.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -29.84 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.23 -35.53 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.74 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -79.89 -30.33 40.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.856 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.681 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -59.04 -45.85 89.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 t -59.25 -57.81 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.48 -33.02 52.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CZ ' ' CD2' ' B' ' 95' ' ' LEU . 55.5 t80 -67.41 -54.27 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.688 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.774 ' HB1' HD23 ' A' ' 22' ' ' LEU . . . -61.43 -30.16 70.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -69.13 -32.94 72.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -75.07 -39.57 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.559 HG11 ' CE ' ' A' ' 71' ' ' LYS . 13.1 t -74.32 -51.25 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.564 ' HB3' HD22 ' A' ' 22' ' ' LEU . 15.9 pt-20 -50.19 -43.63 52.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.888 0.375 . . . . 0.0 110.0 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.21 -31.91 82.35 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.77 -31.86 57.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.111 0.481 . . . . 0.0 110.013 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.3 mmt -70.99 -31.74 68.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.507 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.706 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 41.0 t80 -73.14 -22.54 60.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.987 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -90.32 -21.93 21.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.26 -42.41 25.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.87 0.367 . . . . 0.0 111.055 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -75.62 126.05 30.24 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.566 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.524 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 60.0 m-20 -91.82 5.65 49.08 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -161.94 164.33 28.52 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.744 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.839 ' NH2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.73 -53.78 53.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.926 0.393 . . . . 0.0 110.772 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -46.45 -52.42 13.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.451 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.416 ' HB3' ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -57.44 -45.75 84.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.897 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.527 ' CE2' HD13 ' A' ' 18' ' ' LEU . 36.1 t80 -58.84 -35.12 72.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CE1' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.77 -29.89 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.269 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -80.87 -57.18 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.48 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 58' ' ' ALA . 4.1 pp -59.85 -31.64 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.271 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.61 -32.93 74.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.75 -27.68 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.324 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -53.89 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.228 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.559 ' CE ' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.49 -44.13 89.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.151 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.94 HG23 ' HB2' ' A' ' 25' ' ' ALA . 43.8 mt -66.66 -32.41 57.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.731 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -70.65 -50.05 40.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.641 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.88 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 71' ' ' LYS . 15.0 mt -66.97 -29.84 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.111 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -58.34 -31.17 67.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -77.37 -30.95 54.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.38 -29.92 69.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.704 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.9 tt -57.75 -34.29 69.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.75 -31.32 70.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.9 -31.23 70.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.764 ' HG2' HD23 ' B' ' 99' ' ' LEU . 5.5 mmtm -65.35 -37.95 88.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -42.19 98.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.27 -3.34 58.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.428 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.7 m -64.63 -10.19 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.682 0.277 . . . . 0.0 110.322 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -143.77 -13.73 0.65 Allowed 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.343 0.592 . . . . 0.0 112.076 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--N 1.31 -1.13 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.832 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.4 p -132.91 141.08 48.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 104.8 73.13 0.9 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -75.69 -57.56 3.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -107.59 151.27 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -119.41 31.47 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' GLU . . . . . 0.44 ' O ' HD12 ' B' ' 98' ' ' LEU . 42.7 mm-40 -79.48 -28.72 41.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.655 HD13 ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -55.41 -37.66 67.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -30.75 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -66.3 -38.69 88.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.44 HD12 ' O ' ' B' ' 94' ' ' GLU . 5.4 mp -80.04 -31.94 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.764 HD23 ' HG2' ' A' ' 82' ' ' LYS . 2.5 tp -66.44 -29.9 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.15 -52.46 65.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -59.72 -31.16 69.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -75.61 -26.52 57.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.78 -27.43 41.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.268 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' MET . . . . . 0.442 ' O ' ' CG ' ' B' ' 105' ' ' PHE . 42.8 mtt -79.06 -34.47 43.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.442 ' CG ' ' O ' ' B' ' 104' ' ' MET . 48.7 p90 43.9 31.3 0.48 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.508 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.928 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 m -127.61 173.67 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.74 143.32 36.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER -54.32 159.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 179.467 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.423 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.67 64.3 1.84 Allowed Glycine 0 C--N 1.332 0.355 0 N-CA-C 107.095 -2.402 . . . . 0.0 107.095 175.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.716 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.63 -65.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -174.828 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -62.72 -12.82 26.27 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.055 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 1.1 pp20? -43.93 -53.21 6.34 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -134.4 32.45 3.37 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.716 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -107.07 -49.22 8.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.692 177.743 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.6 p 53.86 169.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.344 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -74.55 -31.29 62.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.13 -56.22 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.191 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -35.73 79.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.937 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 19' ' ' VAL . 33.4 ttm180 -60.77 -44.15 97.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.98 -46.49 89.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -59.29 -30.83 68.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 68' ' ' LEU . 81.8 mt -77.09 -29.94 55.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 15' ' ' ARG . 39.1 t -67.01 -29.63 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -67.98 -29.04 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.542 ' HB3' HD11 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -57.54 -45.41 85.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.89 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.428 HD21 ' SD ' ' A' ' 54' ' ' MET . 3.0 mp -59.93 -32.3 70.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.782 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.38 -30.05 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.6 -31.46 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.696 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -57.41 -48.94 77.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.441 HD12 HD21 ' A' ' 43' ' ' LEU . 30.1 mt -71.4 -50.27 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -130.26 78.32 74.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.1 -62.22 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.627 2.218 . . . . 0.0 112.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 p -64.61 153.15 88.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.41 148.04 53.78 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.576 2.184 . . . . 0.0 112.305 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 18.8 p30 -140.34 86.55 12.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.4 -26.7 81.7 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.455 2.103 . . . . 0.0 112.029 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -25.45 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.57 -31.89 73.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.56 -31.11 69.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -87.09 -26.38 23.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.08 146.9 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.13 -27.75 61.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HD3' ' CD2' ' B' ' 101' ' ' PHE . 0.2 OUTLIER -57.25 -46.85 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.036 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -30.45 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -30.83 65.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -79.95 -31.58 39.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.441 HD21 HD12 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -58.34 -41.87 85.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.2 t -59.95 -58.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.97 91.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.712 ' O ' HG23 ' A' ' 50' ' ' VAL . 57.0 t80 -60.66 -53.16 60.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -28.25 69.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -70.42 -36.19 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -80.74 -34.37 34.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.063 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 46' ' ' TYR . 23.6 t -75.52 -47.42 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.285 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -49.04 -46.38 44.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.792 0.33 . . . . 0.0 110.235 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.58 -31.15 78.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.451 -0.881 . . . . 0.0 110.926 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.4 -28.93 47.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.976 0.417 . . . . 0.0 110.258 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.563 ' HE1' ' HE2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -70.68 -48.92 52.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.837 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 8.9 t80 -59.6 -54.05 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.814 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.63 -39.52 61.82 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.454 ' HB3' HD22 ' A' ' 67' ' ' LEU . 42.7 t -46.88 -29.4 1.98 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 111.271 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.528 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -92.35 135.77 33.75 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.659 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.465 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.5 p-10 -94.45 -0.09 54.99 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.457 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -150.52 175.33 12.0 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.333 179.741 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.654 ' HG3' HG22 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -72.81 -44.46 61.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.0 -49.41 76.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.994 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.24 -30.6 68.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.565 ' CE2' HD13 ' A' ' 18' ' ' LEU . 7.8 t80 -71.1 -31.77 68.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -29.91 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -75.26 -52.62 10.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 68' ' ' LEU . 4.3 pp -58.5 -29.41 66.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -65.82 -44.12 86.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.919 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.42 92.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.44 -41.55 85.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.563 ' HE2' ' HE1' ' A' ' 54' ' ' MET . 8.2 mmmt -66.33 -55.8 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.763 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.696 HG23 ' HB2' ' A' ' 25' ' ' ALA . 4.6 mt -63.03 -31.56 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.745 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -71.54 -51.16 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.747 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -46.18 86.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 71' ' ' LYS . 11.5 mt -67.14 -31.76 54.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -59.43 -52.57 65.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -63.65 -31.37 72.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.37 -30.71 71.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.7 -44.33 93.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.19 -31.64 70.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.69 -31.51 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -78.22 -28.05 47.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -74.36 -27.89 60.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -3.28 45.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.502 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.4 p -61.7 -12.19 15.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.663 0.268 . . . . 0.0 110.385 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -144.96 -14.06 0.53 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.264 0.554 . . . . 0.0 112.088 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.308 -1.204 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 p -106.38 31.92 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.0 28.44 2.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.525 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 10.4 m 68.56 -68.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -176.94 175.44 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -143.52 36.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.86 -27.48 57.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.7 tp -55.86 -34.67 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.871 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.6 m -78.11 -33.8 50.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.81 -31.25 45.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.27 -30.64 69.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.1 mt -78.78 -30.88 45.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -59.33 -32.78 70.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.415 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 11.0 t80 -59.86 -48.56 81.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 59.9 p -66.17 -36.81 84.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.51 93.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 34.5 mtp -86.6 -39.9 15.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -103.81 117.17 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.843 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.508 ' C ' HG23 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.526 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.4 t 64.81 170.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.687 0.28 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.526 ' H ' HG12 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -103.26 152.16 21.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.978 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -52.59 159.28 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.47 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.85 64.65 1.89 Allowed Glycine 0 C--N 1.331 0.299 0 N-CA-C 107.191 -2.364 . . . . 0.0 107.191 175.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.693 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.79 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.021 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -62.11 -13.16 23.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.988 -1.005 . . . . 0.0 113.494 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.37 -50.29 9.22 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -177.77 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -131.69 34.26 3.92 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.693 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -115.89 -41.56 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' VAL . 4.4 p 45.79 179.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.022 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -75.0 -46.92 31.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.532 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -72.76 -56.38 5.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.019 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -55.41 -29.54 58.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.113 -179.621 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -69.95 -35.24 74.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.716 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -33.92 72.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -57.76 -30.65 65.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.787 HD13 ' CE2' ' A' ' 64' ' ' TYR . 4.1 mt -80.15 -26.52 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.437 HG13 ' OE1' ' A' ' 51' ' ' GLU . 40.1 t -64.65 -28.76 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -72.41 -29.65 63.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -57.54 -43.28 84.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.79 -33.64 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.38 -29.15 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -76.38 -37.34 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.782 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.45 -41.47 85.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.557 ' HB ' HD21 ' A' ' 43' ' ' LEU . 29.6 mt -72.55 -46.83 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -132.45 72.97 77.63 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.0 -63.01 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.547 2.165 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 p -60.16 139.82 91.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 155.63 17.55 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.503 2.136 . . . . 0.0 112.229 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 32.8 p-10 -155.61 75.32 5.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.27 -25.5 65.29 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.593 2.195 . . . . 0.0 112.073 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.79 -23.84 41.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HB1' ' SD ' ' A' ' 40' ' ' MET . . . -71.45 -36.07 71.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.133 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -57.07 -29.29 63.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -84.29 -25.53 29.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.51 136.26 52.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -70.75 -32.49 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.563 HH21 HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -56.24 -31.1 63.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.08 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.762 ' CE ' HD13 ' A' ' 43' ' ' LEU . 8.5 tpt -55.07 -24.49 25.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -54.9 -28.44 50.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.565 ' HB2' HD21 ' B' ' 98' ' ' LEU . 8.6 m120 -78.83 -33.75 45.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.762 HD13 ' CE ' ' A' ' 40' ' ' MET . 0.2 OUTLIER -60.63 -37.51 81.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.6 t -79.25 -58.14 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.93 -33.29 50.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.209 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.764 ' CE1' HG21 ' A' ' 50' ' ' VAL . 59.1 t80 -63.06 -52.89 61.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.778 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.53 -28.2 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -67.1 -39.19 86.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -80.79 -36.09 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.764 HG21 ' CE1' ' A' ' 46' ' ' TYR . 21.7 t -75.51 -45.79 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.453 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' OE1' HG13 ' A' ' 19' ' ' VAL . 12.2 pt-20 -49.08 -47.11 45.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.81 0.338 . . . . 0.0 110.294 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.6 77.15 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 178.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -78.5 -28.92 46.41 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.975 0.417 . . . . 0.0 110.251 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.406 ' HG2' HG12 ' A' ' 50' ' ' VAL . 33.6 mmt -77.41 -45.37 26.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.904 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.564 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -59.97 -54.29 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -41.49 62.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.8 t -46.97 -29.06 1.85 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.998 0.428 . . . . 0.0 111.4 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.507 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -93.13 134.59 35.13 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.645 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.459 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 76.1 m-20 -95.98 -0.13 51.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 176.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.02 -178.53 6.54 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.576 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.18 -51.08 16.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -46.87 79.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.069 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -58.24 -30.25 66.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.787 ' CE2' HD13 ' A' ' 18' ' ' LEU . 12.9 t80 -74.06 -37.03 64.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.461 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -75.04 -28.43 60.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -73.42 -57.04 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.641 HD12 ' N ' ' A' ' 68' ' ' LEU . 3.9 pp -57.86 -36.51 72.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.08 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.747 HD13 HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -59.73 -36.08 75.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.19 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.17 -37.96 75.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -68.5 -55.77 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 179.771 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.782 HG23 ' HB2' ' A' ' 25' ' ' ALA . 5.7 mt -63.13 -32.49 56.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.417 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 30.5 t80 -75.13 -45.72 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -67.62 -46.92 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 71' ' ' LYS . 11.3 mt -66.8 -31.42 53.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -59.68 -49.42 77.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 25.3 mtpt -77.52 -27.17 51.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.13 -40.59 70.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.23 -30.38 66.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.94 -31.48 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.02 -31.32 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -30.85 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -64.44 -50.76 66.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.48 -3.31 46.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.404 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.4 t -63.14 -11.93 23.87 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -141.59 -14.2 0.85 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.297 0.57 . . . . 0.0 111.924 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.309 -1.156 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.894 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 23.0 m -100.05 159.21 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.51 -99.83 0.31 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 81.7 p -76.03 -74.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 20.6 t70 60.1 85.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -128.91 30.21 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.44 -28.72 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.545 ' O ' HD13 ' B' ' 99' ' ' LEU . 3.0 mt -54.9 -36.05 64.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 96.9 p -78.13 -31.18 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -78.62 -31.15 46.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.565 HD21 ' HB2' ' A' ' 42' ' ' ASN . 4.1 mt -79.81 -50.53 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 95' ' ' LEU . 4.4 mp -60.44 -41.48 94.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.46 -31.23 69.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.71 -39.84 94.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' SER . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 28.5 p -74.22 -45.59 47.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.76 68.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 43.0 ttm -71.26 -35.1 71.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -82.58 160.69 22.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' HG13 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 1' ' ' GLY . 18.8 m -157.02 -179.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.089 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.75 163.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.5 ' HD3' ' HB2' ' A' ' 59' ' ' ASN . 1.4 mtmm -49.62 160.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.269 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.88 64.93 1.88 Allowed Glycine 0 C--N 1.332 0.345 0 N-CA-C 107.152 -2.379 . . . . 0.0 107.152 175.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.737 ' CZ2' ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -85.65 -64.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.866 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -64.19 -13.24 47.43 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.983 -177.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -44.5 -53.68 6.75 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -177.609 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.419 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 21.6 t-160 -133.35 40.68 3.15 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.619 HG22 ' HE ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -103.67 -54.74 6.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.888 177.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 p 55.61 167.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.3 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -74.31 -33.22 63.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.08 -56.07 25.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.624 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -63.61 -40.42 96.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 19' ' ' VAL . 38.0 ttp85 -62.24 -52.92 61.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.1 m -57.71 -29.76 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.9 -30.32 65.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.816 HD22 ' CE2' ' A' ' 64' ' ' TYR . 1.2 mp -81.27 -30.24 34.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 15' ' ' ARG . 46.7 t -57.54 -41.02 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -60.76 -27.57 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HG3' HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -56.87 -43.44 81.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.821 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.09 -39.34 89.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.5 -28.54 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.05 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -74.44 -33.95 63.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 1.055 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -59.89 -41.09 90.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.991 HD12 HD21 ' A' ' 43' ' ' LEU . 35.1 mt -81.04 -31.31 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.63 77.74 16.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.63 -62.05 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.39 147.94 94.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.47 146.61 44.84 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.517 2.145 . . . . 0.0 112.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -149.5 81.06 7.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.64 -19.06 43.52 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.591 2.194 . . . . 0.0 112.308 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.45 -26.27 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.94 -26.5 59.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.93 -29.41 42.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -96.43 -28.91 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.45 140.22 54.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -59.96 -30.08 68.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.523 ' NH2' HD12 ' A' ' 43' ' ' LEU . 2.1 tmm_? -51.19 -52.74 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -29.29 67.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.7 -32.86 63.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -79.89 -31.61 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.991 HD21 HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -63.74 -43.45 96.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.1 t -58.39 -58.81 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.81 -34.51 71.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CE2' HG21 ' A' ' 50' ' ' VAL . 79.7 t80 -64.24 -54.7 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.682 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.24 -29.7 64.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.061 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -34.56 78.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -39.08 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.57 HG12 ' HG2' ' A' ' 54' ' ' MET . 21.4 t -75.48 -43.46 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.327 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -49.7 -43.68 47.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.868 0.366 . . . . 0.0 110.215 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.19 -32.46 84.23 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.38 -29.14 47.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 0.0 110.123 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.57 ' HG2' HG12 ' A' ' 50' ' ' VAL . 30.7 mmt -79.91 -32.26 40.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.819 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.596 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 15.7 t80 -76.44 -23.93 53.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.38 -30.66 18.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.655 0.264 . . . . 0.0 111.424 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.432 ' OG ' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -49.84 -28.04 5.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.013 0.435 . . . . 0.0 110.766 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.737 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . . . -90.29 134.49 34.27 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.99 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.5 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 1.1 p-10 -104.55 5.18 33.7 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.26 173.64 13.74 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.77 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.619 ' HE ' HG22 ' A' ' 10' ' ' VAL . 1.5 tpm_? -67.91 -60.61 2.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -50.7 -42.4 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.565 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' HB3' ' HB1' ' A' ' 58' ' ' ALA . 6.7 tp10 -52.59 -48.81 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.12 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.816 ' CE2' HD22 ' A' ' 18' ' ' LEU . 24.3 t80 -55.75 -29.12 59.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.78 -55.72 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.199 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -49.03 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.432 HD11 ' OG ' ' A' ' 57' ' ' SER . 6.0 tt -53.8 -57.67 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.328 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.721 HD13 HD23 ' A' ' 18' ' ' LEU . 7.9 tt -52.81 -26.88 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.299 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.89 -40.25 65.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.038 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.52 -46.94 88.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.787 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HD3' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -59.31 -55.76 30.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.737 179.783 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.055 HG23 ' HB2' ' A' ' 25' ' ' ALA . 59.0 mt -63.31 -31.79 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -67.41 -48.59 66.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.72 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -67.28 -45.55 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' A' ' 71' ' ' LYS . 10.4 mt -63.86 -37.2 79.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.17 -33.77 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.827 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -77.41 -31.08 53.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.89 -35.44 80.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.605 ' HA ' HD23 ' B' ' 99' ' ' LEU . 67.2 tp -58.34 -31.53 67.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.1 -30.78 68.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -32.21 72.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -65.52 -33.48 76.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.28 -49.37 77.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -79.78 -3.43 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.372 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -62.1 -13.58 28.06 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 109.994 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -138.97 -13.63 1.21 Allowed 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.397 0.617 . . . . 0.0 111.8 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.312 -1.039 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.93 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t 68.33 -68.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.804 0.335 . . . . 0.0 111.056 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.37 173.13 47.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 17.4 p -101.22 153.47 19.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.2 126.34 27.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -101.39 -35.5 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -28.81 48.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 tt -55.44 -38.96 69.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 26.2 t -78.08 -30.94 49.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.85 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.79 -30.74 65.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 mt -75.89 -36.9 59.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 79' ' ' LEU . 1.1 mp -72.61 -37.82 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.8 -32.41 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.423 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 83.1 t80 -59.69 -38.87 82.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -77.11 -31.98 56.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.55 -31.36 42.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -60.08 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -107.65 148.55 29.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.905 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.523 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.5 t -125.27 170.68 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.523 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -128.64 34.36 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.528 ' O ' ' C ' ' A' ' 5' ' ' GLY . 2.7 mtmm 61.63 4.08 0.97 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.583 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 33.65 43.47 0.27 Allowed Glycine 0 C--N 1.348 1.222 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.707 ' HZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -80.47 -64.34 1.21 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -175.571 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -80.12 -13.02 59.6 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -176.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.82 -40.52 4.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.65 -178.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.804 ' O ' HD13 ' A' ' 14' ' ' LEU . 2.5 m80 -133.57 20.21 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.758 HG22 ' HG3' ' A' ' 61' ' ' ARG . 15.7 t -114.37 93.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -126.81 -173.56 2.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.112 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -64.01 -42.63 97.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.086 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.58 -42.41 82.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.029 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.804 HD13 ' O ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -77.13 -31.22 55.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.081 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.761 ' O ' HG23 ' A' ' 19' ' ' VAL . 12.2 ttm105 -71.97 -30.6 65.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -58.29 -30.71 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -75.65 -31.26 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.613 HD21 ' CE1' ' A' ' 65' ' ' TYR . 6.2 mt -78.46 -37.35 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 15' ' ' ARG . 33.0 t -59.87 -49.76 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -65.2 -32.44 74.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' O ' HD13 ' A' ' 72' ' ' ILE . 17.3 mttt -62.98 -44.72 95.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -31.76 71.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 19' ' ' VAL . 22.0 t -76.51 -30.79 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.41 ' HG3' ' HA ' ' A' ' 28' ' ' PRO . 1.4 tt0 -62.73 -28.47 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.684 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.54 -62.65 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.199 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.7 HD13 HD21 ' A' ' 43' ' ' LEU . 3.7 mp -68.28 -32.56 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.246 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.73 79.77 27.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 34.7 Cg_exo -59.66 -64.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.646 2.231 . . . . 0.0 112.391 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -67.42 157.52 85.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.52 160.75 47.96 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.736 2.291 . . . . 0.0 112.176 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -165.75 86.23 0.97 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.732 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 19.7 Cg_endo -60.55 -25.05 79.86 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.491 2.128 . . . . 0.0 112.104 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -24.34 41.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.64 79.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt -57.26 -31.02 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -86.11 -24.07 26.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.41 135.23 56.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -30.04 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.69 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.95 -39.81 82.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -29.61 64.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -33.56 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.752 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -80.0 -31.28 39.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.793 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.7 HD21 HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -59.8 -43.84 94.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.64 -58.7 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.053 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -33.41 64.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.642 ' O ' HG23 ' A' ' 50' ' ' VAL . 63.2 t80 -64.62 -51.62 61.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.702 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -28.15 69.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -72.9 -34.17 66.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.86 -37.93 29.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.014 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.0 t -75.51 -44.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -49.62 -43.79 46.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.848 0.356 . . . . 0.0 110.139 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.82 82.06 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.385 -0.912 . . . . 0.0 110.902 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -28.77 46.69 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.056 0.455 . . . . 0.0 110.16 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.478 ' HG2' HG12 ' A' ' 50' ' ' VAL . 35.1 mmt -74.88 -33.26 62.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.69 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.707 ' O ' ' HZ2' ' A' ' 6' ' ' TRP . 5.9 t80 -70.01 -54.66 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.557 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -52.62 -22.92 5.59 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.688 ' HB3' HD22 ' A' ' 67' ' ' LEU . 3.8 t -72.16 -21.68 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.475 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -103.48 129.57 50.67 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.498 ' O ' ' O ' ' A' ' 4' ' ' LYS . 2.4 p-10 -81.02 -3.83 53.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.452 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 10.6 t -152.56 -179.81 7.93 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.656 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.758 ' HG3' HG22 ' A' ' 10' ' ' VAL . 1.3 ttp180 -74.32 -43.67 55.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -54.76 38.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.71 -28.97 67.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.506 ' HA ' HD21 ' A' ' 67' ' ' LEU . 13.9 t80 -70.74 -33.03 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.613 ' CE1' HD21 ' A' ' 18' ' ' LEU . 1.6 m-85 -77.66 -31.58 52.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.37 -51.42 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 57' ' ' SER . 4.3 pp -59.89 -29.31 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.678 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -70.1 -37.66 75.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.95 -43.08 96.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.67 -40.84 84.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -66.04 -55.77 14.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.684 HG23 ' HB2' ' A' ' 25' ' ' ALA . 42.9 mt -64.02 -31.28 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -71.89 -53.39 13.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -45.66 91.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.3 mt -68.4 -30.06 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -43.06 91.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -77.3 -30.64 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.69 -28.8 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.678 HD12 ' HG ' ' B' ' 99' ' ' LEU . 10.7 tp -57.89 -32.22 67.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.81 -31.56 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -70.34 -31.27 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -63.39 -31.42 72.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -43.93 41.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.74 -3.28 46.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.405 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.5 p -66.39 -9.1 30.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.712 0.292 . . . . 0.0 110.277 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -142.44 -13.91 0.78 Allowed 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.297 0.57 . . . . 0.0 112.065 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 C--N 1.309 -1.158 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.855 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 44.3 p -132.07 170.79 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -104.76 152.58 17.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 23.2 p -136.99 160.6 38.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.966 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.26 97.4 3.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -106.82 -30.89 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -28.64 67.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.531 HD23 ' C ' ' B' ' 95' ' ' LEU . 8.5 tt -55.66 -35.75 66.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 80.9 p -78.09 -31.67 50.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -34.78 76.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.445 HD23 ' HG2' ' A' ' 39' ' ' ARG . 42.0 mt -75.79 -31.54 59.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.678 ' HG ' HD12 ' A' ' 79' ' ' LEU . 7.7 tp -75.35 -31.93 60.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -60.85 -33.32 72.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -60.69 -40.51 92.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -73.53 -31.84 63.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.31 67.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 20.5 ttt -77.62 -44.29 28.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -104.31 106.09 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.428 ' C ' HG23 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.5 t 60.38 170.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.756 0.312 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.531 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -123.64 35.55 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.857 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.2 mtmm 61.02 7.24 1.46 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.408 -0.329 . . . . 0.0 111.64 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 31.63 45.84 0.17 Allowed Glycine 0 C--N 1.348 1.25 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.738 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.28 -64.67 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.141 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 17.3 t-80 -80.67 -13.81 58.7 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -45.68 9.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.448 ' CD2' ' NH1' ' A' ' 61' ' ' ARG . 1.2 t60 -132.04 23.88 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.687 HG22 ' HG3' ' A' ' 61' ' ' ARG . 56.5 t -105.1 -52.26 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.429 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 3.8 p 54.47 168.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.401 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -37.72 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.08 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.54 -55.99 27.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.17 -31.2 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.881 ' O ' HG23 ' A' ' 19' ' ' VAL . 41.4 ttt180 -65.08 -41.22 95.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -69.78 -31.08 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.94 -30.8 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 68' ' ' LEU . 16.5 mt -79.55 -31.78 42.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 15' ' ' ARG . 44.9 t -59.66 -32.43 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -61.48 -31.67 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.602 ' HB3' HD13 ' A' ' 72' ' ' ILE . 6.4 mmpt? -64.34 -45.46 87.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.765 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -39.63 84.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -72.64 -29.21 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -79.79 -27.18 40.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.899 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.05 -56.97 15.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.258 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.42 ' CD1' HD21 ' A' ' 43' ' ' LEU . 14.9 mt -65.55 -30.45 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CD2' ' OD2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -147.43 84.81 7.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.748 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -74.03 -45.55 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.56 2.173 . . . . 0.0 112.579 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.7 141.5 84.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.98 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.82 152.24 29.46 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.429 2.086 . . . . 0.0 112.279 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.408 ' OD2' ' CD2' ' A' ' 27' ' ' PHE . 12.8 p30 -158.64 75.58 3.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.77 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.45 -27.07 74.54 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.515 2.143 . . . . 0.0 112.058 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.75 -23.12 42.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.03 -36.63 72.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.52 -30.26 62.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.77 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -84.02 -23.68 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.776 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.02 143.34 52.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -30.41 63.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.501 ' NH1' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.62 -32.31 72.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.914 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.533 ' HE3' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -59.68 -30.47 68.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.95 -31.21 64.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.71 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -79.95 -30.36 39.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.77 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD13 ' HE3' ' A' ' 40' ' ' MET . 0.5 OUTLIER -58.52 -42.95 88.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.39 -58.65 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -36.52 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -61.13 -52.36 65.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.712 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.03 70.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -69.94 -30.85 68.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -76.77 -39.2 52.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.49 -50.83 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' OE1' HG13 ' A' ' 19' ' ' VAL . 13.1 pt-20 -49.29 -44.42 44.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.933 0.397 . . . . 0.0 110.196 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.54 -30.35 76.29 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.299 -0.953 . . . . 0.0 110.883 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.42 -30.34 57.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.924 0.392 . . . . 0.0 110.215 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.469 ' HB3' HD11 ' A' ' 67' ' ' LEU . 5.6 mmt -67.07 -30.82 70.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.786 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.738 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 46.6 t80 -77.83 -22.48 49.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.194 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.35 -26.05 20.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.59 -45.34 45.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 0.0 111.209 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.653 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -73.19 126.91 31.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.605 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.524 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 5.6 m120 -89.72 3.64 52.14 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -160.14 156.74 27.22 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.46 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.687 ' HG3' HG22 ' A' ' 10' ' ' VAL . 8.2 ttp180 -56.51 -39.92 74.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -53.36 -54.81 31.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.993 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.559 ' HG3' HD23 ' A' ' 67' ' ' LEU . 8.5 tp10 -61.94 -38.77 89.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.58 ' HA ' HD21 ' A' ' 67' ' ' LEU . 33.1 t80 -57.86 -37.96 74.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.769 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.454 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -77.74 -29.02 50.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -75.41 -53.25 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.653 HD21 ' HB2' ' A' ' 58' ' ' ALA . 3.4 pp -58.35 -30.48 66.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.987 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -67.12 -46.97 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.893 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.86 89.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.89 -41.71 83.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' O ' HD12 ' A' ' 75' ' ' ILE . 11.4 mmmt -65.07 -55.77 16.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.748 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 25' ' ' ALA . 6.4 mt -63.47 -31.28 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -72.22 -57.18 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -57.9 -47.74 81.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.504 HD12 ' O ' ' A' ' 71' ' ' LYS . 18.7 mt -64.87 -30.31 49.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -66.45 -36.38 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -29.16 52.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -30.13 65.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -37.12 76.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.76 -31.67 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.27 -30.37 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -31.39 68.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -70.93 -48.32 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.82 -3.32 47.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.365 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.9 t -63.65 -11.61 26.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 0.0 110.187 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -141.64 -14.13 0.85 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.402 0.62 . . . . 0.0 112.039 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--N 1.311 -1.096 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.906 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -104.69 177.36 4.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -138.18 -129.99 2.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.51 169.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -93.22 160.86 14.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -132.23 -49.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -70.43 -28.93 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 tp -55.62 -35.7 66.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.814 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -31.51 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.82 -38.24 82.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.424 HD22 ' HG ' ' A' ' 43' ' ' LEU . 33.1 mt -75.61 -31.82 60.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.27 -43.75 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.95 -29.87 68.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.411 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 5.5 t80 -58.61 -33.65 70.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.4 m -79.75 -31.69 41.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.27 -47.79 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -31.45 72.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -122.59 100.63 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.939 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 m -125.53 173.58 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -139.19 140.99 37.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -53.4 161.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.214 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.84 60.55 2.55 Favored Glycine 0 C--N 1.334 0.467 0 N-CA-C 107.401 -2.279 . . . . 0.0 107.401 175.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.727 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.27 -64.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -175.109 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 64.6 t-80 -76.41 -13.51 60.12 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.275 -177.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.7 -53.14 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.77 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 12.3 m170 -124.54 21.79 8.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.607 HG22 ' HG3' ' A' ' 61' ' ' ARG . 53.4 t -104.81 -53.64 6.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.429 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 1.3 p 52.93 164.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.696 178.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -74.89 -48.59 23.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.7 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.32 -56.28 21.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.812 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.457 HD23 ' C ' ' A' ' 14' ' ' LEU . 7.3 tt -62.58 -29.53 70.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.901 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 19' ' ' VAL . 9.1 ttm180 -64.98 -31.07 72.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.662 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -34.63 73.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -64.38 -38.02 89.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.746 HD22 ' CE2' ' A' ' 64' ' ' TYR . 4.4 mp -71.01 -28.95 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 15' ' ' ARG . 40.6 t -64.09 -27.36 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -72.2 -30.32 64.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -57.56 -43.74 84.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' HA ' HD11 ' A' ' 72' ' ' ILE . 9.5 mt -60.56 -33.12 72.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.761 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -77.28 -28.84 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.124 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -31.99 67.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.839 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -60.26 -58.0 10.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.719 ' HA ' HD12 ' B' ' 99' ' ' LEU . 12.3 mt -67.11 -39.59 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CZ ' ' CB ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -134.64 77.48 58.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.93 -47.56 0.57 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.55 2.167 . . . . 0.0 112.445 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.34 149.9 97.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.003 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.02 146.6 71.57 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.704 2.27 . . . . 0.0 112.278 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.438 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 7.3 t70 -167.57 90.21 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.791 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.49 -22.7 75.17 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.064 . . . . 0.0 112.141 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.52 -25.78 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.99 95.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 mt -57.95 -26.45 62.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.647 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.21 -22.79 20.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.16 137.08 57.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.873 0.368 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -44.35 96.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.585 ' NH1' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -55.99 -28.99 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.145 -179.825 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.49 ' SD ' HD13 ' A' ' 43' ' ' LEU . 5.0 tpp -59.41 -25.44 64.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.85 -29.63 63.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -79.89 -31.23 40.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.585 HD12 ' NH1' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -59.92 -41.68 92.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 t -63.07 -58.75 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.8 69.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.807 ' OH ' HD13 ' B' ' 95' ' ' LEU . 28.4 t80 -62.29 -51.4 67.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.773 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.98 -32.22 73.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.039 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -62.44 -31.09 71.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -74.99 -43.31 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.36 -52.44 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -49.94 -43.65 50.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.937 0.398 . . . . 0.0 110.138 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.16 -30.92 79.08 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.0 -28.69 49.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 0.0 110.287 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 35.5 mmt -67.3 -32.49 73.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.801 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.727 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 45.1 t80 -77.63 -22.98 49.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.229 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.56 -32.67 16.2 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.196 -0.315 . . . . 0.0 111.553 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.401 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -67.25 -50.34 60.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.324 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.535 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -72.57 129.47 38.36 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.909 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.485 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.2 m-20 -96.38 4.83 51.95 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.5 t -152.14 161.4 42.69 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.607 ' HG3' HG22 ' A' ' 10' ' ' VAL . 12.2 ttp180 -59.97 -51.14 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -51.94 -50.19 61.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -61.33 -37.85 84.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.746 ' CE2' HD22 ' A' ' 18' ' ' LEU . 26.1 t80 -60.6 -42.89 97.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.704 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.552 ' CE2' HD11 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.73 -28.54 50.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.122 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.84 -57.09 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.367 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.897 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -53.63 -27.65 28.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.214 -179.659 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.897 ' N ' HD23 ' A' ' 67' ' ' LEU . 3.6 tt -72.6 -31.87 65.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.839 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.97 85.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -38.84 79.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' HD12 ' A' ' 75' ' ' ILE . 4.2 mtpp -68.58 -55.8 10.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.769 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.839 HG23 ' HB2' ' A' ' 25' ' ' ALA . 27.5 mm -63.64 -31.67 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -66.42 -55.13 17.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.658 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -61.73 -44.64 96.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.1 mt -68.8 -31.08 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -59.68 -42.45 92.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -77.49 -28.14 52.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.82 -27.92 63.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.57 HD21 ' HA ' ' B' ' 103' ' ' ALA . 1.2 tt -56.55 -31.36 64.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.066 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.56 -29.09 70.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -82.49 -26.84 32.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CG ' HD23 ' B' ' 99' ' ' LEU . 0.3 OUTLIER -58.47 -46.02 87.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.997 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -64.75 -45.72 85.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.98 -3.37 51.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.5 t -66.74 -9.54 37.74 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.3 mmm-85 -139.75 -14.47 1.07 Allowed 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.257 0.551 . . . . 0.0 111.921 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--N 1.309 -1.165 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.911 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 8.9 p -137.2 -178.11 5.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.499 ' C ' ' HG1' ' B' ' 91' ' ' THR . . . -140.87 29.03 2.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.529 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.499 ' HG1' ' C ' ' B' ' 90' ' ' GLY . 62.9 p 52.87 -86.23 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.543 0.211 . . . . 0.0 111.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' B' ' 90' ' ' GLY . 1.7 t0 60.77 36.03 19.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -97.61 -29.79 13.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -58.71 -28.27 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.807 HD13 ' OH ' ' A' ' 46' ' ' TYR . 19.2 tp -55.62 -36.38 66.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.824 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 10.5 m -78.0 -31.24 50.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -66.41 -52.89 41.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.5 ' HB3' HG21 ' A' ' 26' ' ' ILE . 9.2 mt -60.03 -36.4 77.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 26' ' ' ILE . 1.1 tp -71.27 -30.95 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.84 -31.83 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.412 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 8.5 t80 -59.66 -46.11 90.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -83.26 -37.25 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ALA . . . . . 0.57 ' HA ' HD21 ' A' ' 79' ' ' LEU . . . -61.45 -37.08 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.6 ttp -65.85 -59.35 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.34 129.48 53.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.892 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m -132.5 176.12 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.33 153.56 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -53.94 159.49 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 179.497 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.89 64.77 1.9 Allowed Glycine 0 C--N 1.333 0.382 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 175.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.67 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.95 -65.22 1.04 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -174.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -61.67 -12.76 17.78 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.757 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 1.3 pt-20 -43.73 -50.64 7.59 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -134.39 36.17 3.19 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.67 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -114.98 -42.71 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.849 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 10' ' ' VAL . 2.4 p 48.61 175.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.848 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -75.01 -48.51 23.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.828 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.52 -56.46 5.34 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' ' 10' ' ' VAL . 8.1 tt -53.63 -29.57 38.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.106 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -65.42 -31.83 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.717 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -31.72 71.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -61.3 -30.95 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.52 HD21 ' CE2' ' A' ' 65' ' ' TYR . 4.8 mp -78.87 -31.31 45.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.71 -34.61 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -62.33 -27.5 69.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -56.46 -44.53 80.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 26' ' ' ILE . 36.5 mt -60.34 -41.41 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.709 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.19 -29.72 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -78.44 -26.84 46.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' HB2' HG12 ' A' ' 72' ' ' ILE . . . -57.07 -61.5 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.165 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.703 HD13 HD21 ' A' ' 43' ' ' LEU . 3.7 mp -66.15 -30.76 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.41 82.84 13.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.45 -63.16 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.6 2.2 . . . . 0.0 112.346 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 p -66.97 149.31 98.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.75 146.68 48.96 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.538 2.159 . . . . 0.0 112.258 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -154.61 85.68 3.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HA ' HD23 ' A' ' 35' ' ' LEU . 17.8 Cg_endo -59.82 -18.73 50.67 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.601 2.201 . . . . 0.0 112.271 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.84 -28.01 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.733 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.631 ' HB1' ' NH2' ' A' ' 39' ' ' ARG . . . -72.08 -26.02 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.012 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 32' ' ' PRO . 2.9 mm? -55.92 -35.96 67.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -83.37 -29.56 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.84 142.86 39.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -26.52 65.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.654 ' HD2' HD22 ' B' ' 98' ' ' LEU . 5.4 tmm_? -53.99 -48.05 70.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.679 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -57.14 -29.32 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.76 -42.44 75.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.599 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -79.96 -32.33 39.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.78 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.703 HD21 HD13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -60.53 -44.77 95.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 40' ' ' MET . 32.6 t -60.1 -59.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.04 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.62 ' O ' HG23 ' A' ' 50' ' ' VAL . 74.3 t80 -70.25 -53.99 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.802 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.86 -28.24 69.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -71.31 -35.7 71.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -80.8 -38.06 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 46' ' ' TYR . 21.9 t -75.55 -44.87 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.407 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -49.05 -43.16 40.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.902 0.382 . . . . 0.0 110.361 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.98 -32.29 83.72 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.38 -0.914 . . . . 0.0 110.912 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -78.52 -28.16 46.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.009 0.433 . . . . 0.0 110.322 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.408 ' HB3' HD12 ' A' ' 68' ' ' LEU . 27.5 mmt -71.82 -46.18 59.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.963 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.563 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -60.33 -54.41 46.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.04 -40.62 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.89 -28.67 2.77 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.962 0.41 . . . . 0.0 111.272 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.517 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -92.91 133.75 35.79 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.696 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.476 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.6 m120 -95.44 0.08 52.94 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 m -150.03 175.91 11.27 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.661 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.617 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.26 -50.38 19.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.2 -45.96 75.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.68 -40.98 94.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.482 ' CE2' HD22 ' A' ' 18' ' ' LEU . 9.8 t80 -59.74 -32.63 70.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.52 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -73.98 -55.48 6.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -65.82 -44.91 84.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.536 HD23 ' C ' ' A' ' 67' ' ' LEU . 8.2 tt -60.72 -55.33 34.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.441 HD21 HD11 ' A' ' 72' ' ' ILE . 5.6 tt -57.09 -28.57 62.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.25 68.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.154 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.26 -43.57 83.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.65 ' HE3' HD11 ' A' ' 75' ' ' ILE . 4.4 mmmt -61.8 -55.86 25.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.687 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.441 HD11 HD21 ' A' ' 68' ' ' LEU . 5.0 mt -60.8 -32.12 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.792 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -75.13 -43.36 53.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.811 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -72.18 -45.86 58.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.65 HD11 ' HE3' ' A' ' 71' ' ' LYS . 9.2 mt -64.97 -31.78 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -59.94 -47.28 86.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -70.07 -29.37 66.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.985 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.47 -24.98 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.623 ' HA ' HD23 ' B' ' 99' ' ' LEU . 7.0 mt -55.65 -27.58 50.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -33.21 75.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -62.85 -27.1 69.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -56.26 -29.24 60.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -49.16 71.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -3.25 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.375 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -67.32 -8.44 32.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.75 0.309 . . . . 0.0 110.334 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.52 -13.96 0.77 Allowed 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.229 0.538 . . . . 0.0 112.028 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.31 -1.137 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.887 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.79 -169.51 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.98 -40.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 7.5 p 56.76 168.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 60.01 174.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 69.43 -65.72 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.86 -26.92 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.422 ' O ' HD12 ' B' ' 99' ' ' LEU . 63.7 tp -55.06 -31.62 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.08 -31.36 50.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.8 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -65.22 -34.23 77.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.654 HD22 ' HD2' ' A' ' 39' ' ' ARG . 24.0 mt -69.96 -30.84 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' A' ' 79' ' ' LEU . 1.8 mp -71.76 -34.01 69.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.65 -32.04 64.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.427 ' CG ' ' NH1' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -59.91 -57.46 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -30.68 68.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.46 -30.45 66.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 1.6 ttm -82.78 -31.35 28.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -149.89 138.03 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.924 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.543 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.5 t -119.13 170.68 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.322 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.543 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -157.17 158.86 37.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.913 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.521 ' HD3' ' CD1' ' A' ' 6' ' ' TRP . 0.9 OUTLIER -56.83 163.24 2.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.429 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.21 64.64 2.03 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 106.966 -2.454 . . . . 0.0 106.966 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.681 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.62 -64.53 1.14 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -174.67 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.416 ' CE1' ' OH ' ' A' ' 55' ' ' TYR . 2.1 m-70 -63.28 -13.01 33.58 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.778 -1.101 . . . . 0.0 113.664 -176.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -43.78 -49.66 8.01 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.99 39.26 3.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.688 HG11 ' HE2' ' A' ' 55' ' ' TYR . 3.9 t -103.19 -62.89 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.97 0.414 . . . . 0.0 109.946 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p 56.26 168.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.124 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -74.42 -38.25 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.5 -56.04 24.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -37.72 79.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.898 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -62.23 -50.12 73.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -64.55 -29.51 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.015 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -73.59 -30.59 63.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.457 HD22 HD22 ' A' ' 68' ' ' LEU . 17.5 mt -81.42 -33.11 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.056 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 15' ' ' ARG . 24.2 t -59.08 -29.29 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -71.86 -30.05 65.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -59.15 -46.71 87.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.3 mp -60.11 -32.28 70.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.67 -30.79 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -25.12 54.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.921 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -56.74 -61.2 2.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.288 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.637 ' HB ' HD21 ' A' ' 43' ' ' LEU . 5.8 mt -61.78 -32.12 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.213 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.543 ' HE1' HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -143.42 84.96 9.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.73 -46.56 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.561 2.174 . . . . 0.0 112.402 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.605 HG21 ' O ' ' B' ' 106' ' ' SER . 0.5 OUTLIER -73.97 149.8 87.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.62 147.12 93.02 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.626 2.218 . . . . 0.0 112.262 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -153.83 78.47 5.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.48 -21.25 53.16 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.629 2.219 . . . . 0.0 112.204 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.18 -23.38 43.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.497 ' HB1' ' HE2' ' A' ' 40' ' ' MET . . . -69.03 -28.66 66.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.181 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.88 -36.03 71.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -82.45 -25.68 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.05 140.58 54.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.13 -25.57 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' NH2' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -56.39 -39.54 73.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.998 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.506 ' SD ' HD13 ' A' ' 43' ' ' LEU . 50.7 tpp -57.98 -29.12 64.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.79 -30.49 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.832 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -79.93 -29.9 39.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.637 HD21 ' HB ' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -57.83 -48.15 80.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.3 t -59.68 -59.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.047 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.48 80.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.798 ' OH ' HD13 ' B' ' 95' ' ' LEU . 23.5 t80 -61.25 -55.37 32.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.739 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.53 72.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -33.53 75.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -71.94 -43.91 64.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.779 HG12 ' SD ' ' A' ' 54' ' ' MET . 25.9 t -68.86 -55.09 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -44.13 54.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.399 . . . . 0.0 109.97 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.32 -31.18 78.38 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.25 -29.08 62.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.916 0.389 . . . . 0.0 110.071 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.779 ' SD ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -67.07 -34.26 77.29 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.692 179.776 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.688 ' HE2' HG11 ' A' ' 10' ' ' VAL . 37.5 t80 -76.26 -23.24 54.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.8 -35.04 15.06 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.923 0.392 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.733 ' OG ' HD11 ' A' ' 67' ' ' LEU . 2.2 p -67.59 -52.46 38.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.682 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.513 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -66.76 127.12 31.26 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.271 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 1.5 m-20 -94.12 4.9 53.25 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.3 p -153.49 165.23 36.49 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -65.71 -44.1 87.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -57.36 -53.39 58.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.681 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.14 -38.35 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.429 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.592 ' HA ' HD22 ' A' ' 67' ' ' LEU . 31.2 t80 -60.84 -39.16 88.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.613 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.447 ' CD1' ' NH1' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -77.89 -32.02 51.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.221 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -80.82 -57.12 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.412 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.867 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -59.09 -27.86 65.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.044 -179.735 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.867 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.6 tt -71.35 -31.3 67.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.809 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.91 -35.32 72.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.42 -41.21 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.492 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -64.43 -55.73 18.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.628 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.921 HG23 ' HB2' ' A' ' 25' ' ' ALA . 5.1 mt -62.67 -31.05 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.791 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -75.2 -51.84 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.718 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.97 -42.98 95.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.2 mt -71.05 -29.88 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -49.13 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -77.53 -29.9 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -60.07 -29.71 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.989 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.688 ' HA ' HD22 ' B' ' 99' ' ' LEU . 9.5 tt -57.66 -30.65 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.73 -31.65 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -68.31 -30.87 69.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.29 -30.63 68.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -59.62 -49.16 78.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -3.29 47.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.357 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.4 t -66.89 -8.84 32.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.675 0.274 . . . . 0.0 110.266 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -142.04 -13.92 0.82 Allowed 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.31 0.576 . . . . 0.0 111.998 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.31 -1.113 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 38.5 t -140.25 91.78 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.78 -145.06 16.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.56 169.14 20.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.83 139.0 55.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -132.69 -46.71 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -75.84 -29.15 58.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.798 HD13 ' OH ' ' A' ' 46' ' ' TYR . 6.7 tp -55.5 -37.81 68.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.783 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 4.9 m -77.99 -30.95 50.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -75.45 -31.64 60.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 mp -79.94 -42.08 24.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.688 HD22 ' HA ' ' A' ' 79' ' ' LEU . 10.9 mt -60.25 -34.01 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -51.66 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.14 -37.49 80.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -69.07 -39.12 79.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.04 63.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.0 mmt -62.48 -41.83 99.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -98.28 35.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.605 ' O ' HG21 ' A' ' 29' ' ' THR . 1.7 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.8 m -135.67 174.61 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.724 0.297 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -135.59 136.91 41.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -53.99 161.59 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.8 63.67 1.94 Allowed Glycine 0 C--N 1.334 0.427 0 N-CA-C 107.171 -2.372 . . . . 0.0 107.171 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.558 ' HZ3' HG11 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.81 -64.96 1.07 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -174.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.628 ' HA ' HG23 ' A' ' 10' ' ' VAL . 58.4 t-80 -62.42 -13.15 26.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.47 -176.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.36 -51.39 8.57 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -177.758 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.463 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -133.12 40.21 3.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -111.21 -51.59 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 177.496 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p 51.62 176.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.33 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -74.63 -44.37 50.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -58.72 -56.22 24.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.623 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -42.08 97.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.019 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.726 ' O ' HG23 ' A' ' 19' ' ' VAL . 6.9 tmm_? -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 t -78.28 -34.41 48.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -47.36 86.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.915 HD13 ' CE2' ' A' ' 64' ' ' TYR . 1.4 mt -60.55 -35.05 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 15' ' ' ARG . 46.7 t -58.65 -29.86 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -73.11 -28.52 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HD3' HD23 ' A' ' 18' ' ' LEU . 11.9 mtpt -57.72 -44.64 86.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.409 HD21 ' HG3' ' A' ' 54' ' ' MET . 2.0 mp -60.66 -32.36 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.7 t -73.0 -29.46 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.17 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -79.63 -30.36 41.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.728 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -57.26 -47.37 81.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.99 HD12 HD21 ' A' ' 43' ' ' LEU . 30.5 mt -74.01 -44.61 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.05 77.29 76.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.3 -62.46 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.606 2.204 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 79.8 p -68.91 154.76 94.59 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.38 154.7 45.84 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.71 92.03 1.41 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.69 -25.65 75.14 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.408 2.072 . . . . 0.0 112.176 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.75 -25.77 40.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.998 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.23 60.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.82 -31.04 68.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.71 -24.61 25.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.73 148.54 33.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -27.43 69.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.707 ' CD ' HD23 ' B' ' 98' ' ' LEU . 2.2 tmm_? -56.1 -46.24 79.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.013 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.421 ' CE ' HD13 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -54.45 -29.09 48.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -56.82 -39.1 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -79.88 -29.85 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.864 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.99 HD21 HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -58.17 -49.48 76.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.59 -59.15 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.1 82.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.704 ' O ' HG23 ' A' ' 50' ' ' VAL . 57.9 t80 -61.64 -52.95 62.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.57 -28.2 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -66.29 -36.48 83.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -80.72 -35.64 33.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.995 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 46' ' ' TYR . 23.5 t -75.52 -46.59 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.202 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' CD ' HG13 ' A' ' 19' ' ' VAL . 12.5 pt-20 -49.55 -46.31 48.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.288 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.02 -31.25 80.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.419 -0.896 . . . . 0.0 110.987 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -78.41 -28.81 46.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.95 0.405 . . . . 0.0 110.32 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.409 ' HG3' HD21 ' A' ' 22' ' ' LEU . 29.9 mmt -68.75 -41.12 79.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.53 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -64.65 -54.29 34.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.22 -40.47 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.28 -29.2 2.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.923 0.392 . . . . 0.0 111.354 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 64' ' ' TYR . . . -92.95 133.82 35.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.634 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 3.3 m-20 -95.6 0.33 52.73 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 176.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -151.16 173.89 13.88 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HG2' ' HB3' ' A' ' 9' ' ' HIS . 4.6 tpt180 -70.34 -55.94 7.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.788 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -50.05 -49.77 50.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.248 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -58.98 -40.78 85.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.915 ' CE2' HD13 ' A' ' 18' ' ' LEU . 9.7 t80 -58.66 -30.91 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.77 -55.55 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.943 -179.829 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -65.75 -30.84 71.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -74.68 -53.32 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.518 ' CD2' HD11 ' A' ' 72' ' ' ILE . 7.4 tt -57.67 -29.76 64.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.3 -30.44 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.06 -40.4 80.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.664 ' HE3' HD11 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -64.85 -55.85 16.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.728 HG23 ' HB2' ' A' ' 25' ' ' ALA . 5.7 mt -61.23 -32.33 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.805 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -75.07 -37.72 61.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.718 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -77.15 -46.34 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.664 HD11 ' HE3' ' A' ' 71' ' ' LYS . 7.8 mt -62.19 -44.17 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -60.23 -31.47 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.83 -31.48 68.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -67.99 -30.82 70.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.49 -30.69 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.18 -31.51 72.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.14 -42.36 62.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -69.36 -34.9 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -34.32 77.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -81.34 -3.21 51.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.384 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 t -66.53 -8.98 30.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.7 0.286 . . . . 0.0 110.278 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.0 tpt85 -142.46 -13.76 0.78 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.285 0.564 . . . . 0.0 112.047 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--N 1.31 -1.151 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.8 p -106.99 -31.43 8.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 160.89 -28.35 0.31 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.47 HG22 ' H ' ' B' ' 92' ' ' ASP . 0.2 OUTLIER 60.73 -177.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.93 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASP . . . . . 0.47 ' H ' HG22 ' B' ' 91' ' ' THR . 3.5 m-20 -60.72 145.88 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -109.98 -30.24 7.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.27 -27.24 63.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.563 HD12 ' N ' ' B' ' 96' ' ' SER . 3.8 pp -55.23 -31.81 61.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' SER . . . . . 0.563 ' N ' HD12 ' B' ' 95' ' ' LEU . 0.8 OUTLIER -77.99 -33.08 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.3 -32.1 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.707 HD23 ' CD ' ' A' ' 39' ' ' ARG . 1.2 mt -67.57 -29.62 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.48 -31.38 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -61.39 -53.69 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.413 ' CE1' ' CE1' ' B' ' 105' ' ' PHE . 87.3 t80 -58.59 -30.16 66.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -77.06 -37.2 55.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.99 -32.37 34.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.26 -59.47 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.413 ' CE1' ' CE1' ' B' ' 101' ' ' PHE . 8.4 m-85 -62.8 -47.71 82.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.917 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.529 ' C ' HG23 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.735 -0.146 . . . . 0.0 112.735 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.529 HG23 ' C ' ' A' ' 1' ' ' GLY . 1.4 t 65.32 170.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.845 0.355 . . . . 0.0 110.93 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.517 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -135.54 41.16 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.571 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.1 mtmm 59.71 8.27 1.27 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 119.432 -0.318 . . . . 0.0 111.572 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 30.31 47.37 0.13 Allowed Glycine 0 C--N 1.347 1.17 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.607 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -81.34 -64.42 1.19 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -175.202 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.95 -12.24 60.88 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -53.32 5.75 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.412 ' HB3' ' NE ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -137.93 33.57 2.4 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -178.112 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.893 HG22 ' HG2' ' A' ' 61' ' ' ARG . 9.7 t -100.46 -62.57 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.859 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p 55.55 168.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.148 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -74.47 -37.99 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.146 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.23 -56.18 18.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.218 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -61.68 -35.05 76.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.83 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.909 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.4 ttt180 -70.55 -36.32 73.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 p -59.72 -32.69 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -72.98 -34.19 66.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.85 HD22 ' CE2' ' A' ' 64' ' ' TYR . 4.0 mp -76.88 -31.27 56.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 15' ' ' ARG . 26.5 t -61.64 -32.9 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -28.36 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.491 ' HB3' HD13 ' A' ' 72' ' ' ILE . 23.8 mttt -57.63 -45.5 85.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.561 ' CD1' HD11 ' A' ' 68' ' ' LEU . 2.9 mp -60.18 -32.02 70.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.24 -30.46 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -80.74 -35.24 33.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.888 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.16 -42.86 86.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.535 ' CD1' HD21 ' A' ' 43' ' ' LEU . 30.8 mt -74.5 -47.8 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.409 ' CE2' ' OD2' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -128.69 71.88 81.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.93 -62.42 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.599 2.2 . . . . 0.0 112.391 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.1 p -59.69 154.35 46.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.95 153.35 68.15 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.634 2.222 . . . . 0.0 112.313 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' CE2' ' A' ' 27' ' ' PHE . 9.5 p30 -153.57 85.43 4.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.59 -27.12 84.28 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.462 2.108 . . . . 0.0 112.07 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.66 -24.97 41.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.91 89.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.41 -29.01 61.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -89.09 -24.89 22.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.42 138.19 57.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -73.16 -30.87 63.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.596 ' NH1' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.84 -35.27 76.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 tpp -60.52 -28.6 68.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.65 -31.43 64.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -79.89 -30.53 40.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.596 HD12 ' NH1' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -58.45 -42.41 87.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.67 -59.1 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.55 73.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.755 ' OH ' HD12 ' B' ' 95' ' ' LEU . 15.9 t80 -60.53 -46.89 88.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.21 63.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -69.95 -32.97 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.088 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -80.77 -39.16 27.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.9 t -75.49 -44.64 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.378 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -49.35 -43.6 43.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.84 0.353 . . . . 0.0 110.227 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.74 -32.52 84.45 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.47 -30.03 47.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.99 0.424 . . . . 0.0 110.14 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.503 ' HG2' HG12 ' A' ' 50' ' ' VAL . 29.1 mmt -74.58 -31.61 62.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.779 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 2.1 t80 -72.48 -54.68 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.613 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.27 -24.62 63.4 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.3 -23.23 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.654 0.264 . . . . 0.0 111.65 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' CE2' ' A' ' 6' ' ' TRP . . . -97.33 127.17 43.06 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.518 ' O ' ' O ' ' A' ' 4' ' ' LYS . 3.3 p-10 -81.88 -4.11 55.74 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.456 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 9.0 m -145.45 176.49 9.55 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.893 ' HG2' HG22 ' A' ' 10' ' ' VAL . 4.8 tmm_? -74.29 -54.61 7.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.998 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.18 -43.1 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.124 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.06 -38.81 77.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.85 ' CE2' HD22 ' A' ' 18' ' ' LEU . 22.4 t80 -63.41 -30.45 71.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.753 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -49.05 24.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -74.42 -32.45 62.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -70.51 -53.32 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.586 HD22 HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -57.49 -35.83 70.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.026 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -30.25 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.21 -46.42 90.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' O ' HG12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -62.35 -56.6 16.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.907 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.888 HG23 ' HB2' ' A' ' 25' ' ' ALA . 4.2 mt -58.91 -28.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.158 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.61 -44.55 42.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.797 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.557 ' HD2' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -79.16 -40.09 31.81 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -178.569 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.783 HG13 ' HB1' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -74.53 -29.58 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.051 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.429 ' NE2' HG22 ' A' ' 72' ' ' ILE . 7.0 mt-30 -59.88 -57.97 10.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.393 . . . . 0.0 110.722 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -59.91 -28.85 67.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.14 -29.55 65.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.002 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -58.7 -38.71 78.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.35 -40.42 95.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.49 -31.12 69.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -75.26 -31.05 60.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.439 ' HA ' ' HB1' ' B' ' 103' ' ' ALA . 1.0 OUTLIER -64.11 -42.1 97.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.73 -3.35 47.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.408 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -9.55 30.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -142.41 -13.71 0.78 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.277 0.56 . . . . 0.0 112.041 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.31 -1.151 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.926 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 62.1 m 60.49 95.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -105.06 80.12 0.29 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.37 169.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.76 164.66 12.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.72 -50.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -28.63 56.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.987 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.755 HD12 ' OH ' ' A' ' 46' ' ' TYR . 8.6 tt -55.4 -36.68 66.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.839 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.9 p -78.05 -31.26 50.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -69.63 -32.16 70.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.557 HD22 ' HG ' ' A' ' 43' ' ' LEU . 82.6 mt -71.2 -37.48 72.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.9 mp -78.65 -39.88 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.79 -30.84 69.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.417 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 11.6 t80 -59.04 -53.25 60.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -62.33 -32.32 73.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ALA . . . . . 0.439 ' HB1' ' HA ' ' A' ' 83' ' ' ARG . . . -73.04 -31.69 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 26.3 mmm -86.69 -52.59 5.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.68 165.43 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.918 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.461 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.317 0.103 . . . . 0.0 111.067 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.79 64.1 1.9 Allowed Glycine 0 C--N 1.334 0.457 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 175.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.521 ' CZ3' ' CZ ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.59 -64.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -174.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.613 ' HA ' HG23 ' A' ' 10' ' ' VAL . 7.7 t-80 -62.13 -13.01 22.74 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.097 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 1.1 pp20? -44.02 -53.2 6.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -130.09 26.94 5.16 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.613 HG23 ' HA ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -96.02 -42.46 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 12' ' ' GLN . 10.4 m 51.71 166.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.834 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.428 ' N ' HG22 ' A' ' 11' ' ' THR . 1.6 tt0 -74.55 -52.52 11.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -53.7 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.305 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.05 -29.79 32.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.229 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 19' ' ' VAL . 23.3 ttm180 -71.64 -35.11 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.788 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 m -62.27 -31.43 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -64.77 -35.49 81.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 68' ' ' LEU . 10.6 mp -73.38 -34.25 65.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 15' ' ' ARG . 31.6 t -59.79 -38.88 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -61.08 -36.24 79.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' HB3' HD13 ' A' ' 72' ' ' ILE . 9.1 mmtm -59.84 -33.01 71.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.74 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -36.89 74.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.709 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.2 t -77.36 -30.96 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -65.87 -30.36 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.679 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.44 -47.72 83.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.728 HD12 HD21 ' A' ' 43' ' ' LEU . 31.1 mt -73.52 -31.15 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.7 82.38 10.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.27 -46.45 1.42 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.59 2.194 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.56 148.82 85.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.94 146.43 52.85 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.647 2.231 . . . . 0.0 112.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.26 91.15 3.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.49 -25.66 75.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.367 2.044 . . . . 0.0 112.151 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.71 -26.54 40.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.063 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -33.56 76.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.21 -31.45 67.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -85.3 -24.29 27.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.17 136.57 57.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.59 -29.02 70.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.803 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -58.71 -41.09 85.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -30.03 64.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.21 -35.16 69.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.749 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -79.9 -29.93 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.803 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -58.04 -48.41 80.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 t -62.08 -58.87 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.41 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.474 ' OH ' HD13 ' B' ' 95' ' ' LEU . 64.6 t80 -60.9 -54.16 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.75 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -68.39 -31.31 70.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -80.78 -41.76 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.475 HG12 ' SD ' ' A' ' 54' ' ' MET . 20.3 t -75.47 -43.65 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.207 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.28 -42.47 52.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 110.078 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.07 -31.97 82.62 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -78.48 -29.34 46.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.008 0.433 . . . . 0.0 110.13 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.475 ' SD ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -77.02 -41.11 43.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.521 ' CZ ' ' CZ3' ' A' ' 6' ' ' TRP . 7.5 t80 -62.82 -54.24 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.772 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.83 -39.3 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.478 ' HB3' HD22 ' A' ' 67' ' ' LEU . 18.5 t -47.61 -28.62 2.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.893 0.378 . . . . 0.0 111.332 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.546 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -93.55 134.46 35.81 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.714 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 8.1 p-10 -96.27 0.08 50.42 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 176.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.0 154.66 34.14 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.521 ' HG2' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -57.32 -28.35 63.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.084 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -54.66 20.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -59.68 -31.49 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.561 ' HA ' HD21 ' A' ' 67' ' ' LEU . 13.4 t80 -67.81 -30.73 70.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -28.23 50.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -78.33 -53.86 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.029 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.561 HD21 ' HA ' ' A' ' 64' ' ' TYR . 3.7 pp -57.09 -30.57 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.75 ' CD2' HD11 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -63.65 -38.73 92.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.91 92.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -58.77 -46.99 86.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.467 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -60.48 -55.8 29.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 68' ' ' LEU . 17.2 mt -63.73 -31.42 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -68.43 -56.88 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.749 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -57.39 -44.26 84.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.6 mt -68.88 -32.65 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.075 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -48.43 81.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -77.14 -29.98 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.87 -30.2 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.592 ' HG ' HD23 ' B' ' 99' ' ' LEU . 6.4 mt -59.14 -31.28 68.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -41.85 91.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.99 -31.64 71.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.795 0.331 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.474 HD13 ' OH ' ' A' ' 46' ' ' TYR . 29.2 tp -55.92 -35.36 66.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.796 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.8 m -78.07 -31.32 50.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.791 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.25 -31.2 60.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 43' ' ' LEU . 42.1 mt -68.0 -45.1 75.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.592 HD23 ' HG ' ' A' ' 79' ' ' LEU . 3.5 mp -68.65 -33.54 74.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.34 -32.48 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -64.06 -48.91 74.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -74.94 -31.64 61.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.52 -32.1 72.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.474 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 120.448 0.166 . . . . 0.0 111.328 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.13 61.25 2.65 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 107.215 -2.354 . . . . 0.0 107.215 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.747 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.52 -64.11 1.25 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -175.038 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.424 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 3.2 t-80 -74.74 -13.72 60.64 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.468 -177.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.94 -53.32 7.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -120.56 22.24 11.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.504 HG21 ' CZ3' ' A' ' 6' ' ' TRP . 98.3 t -107.21 -52.94 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.424 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 2.9 p 53.33 170.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.542 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -74.62 -46.6 37.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.238 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.15 -56.18 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.375 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -30.48 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.998 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.642 ' O ' HG23 ' A' ' 19' ' ' VAL . 42.2 ttt-85 -64.69 -45.79 85.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -30.94 69.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -31.14 67.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.823 HD21 ' CE1' ' A' ' 65' ' ' TYR . 8.1 mt -79.42 -31.53 42.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.656 HG13 ' OE1' ' A' ' 51' ' ' GLU . 46.3 t -58.89 -30.39 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.034 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -73.24 -29.2 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HG3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.51 -43.19 89.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.806 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 51' ' ' GLU . 22.2 mt -62.4 -31.74 72.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.735 HG13 HD22 ' A' ' 43' ' ' LEU . 25.4 t -73.87 -28.8 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.043 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -73.37 -28.82 62.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.899 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.85 -66.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.192 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 22' ' ' LEU . 2.6 mp -62.28 -31.76 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -139.0 83.07 18.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HG2' HD22 ' A' ' 79' ' ' LEU . 31.7 Cg_exo -58.67 -63.79 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.3 p -59.96 141.39 89.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -77.61 167.27 24.43 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.64 2.227 . . . . 0.0 112.3 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' OD2' ' HB2' ' A' ' 34' ' ' ALA . 35.4 t0 -177.64 110.93 0.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.779 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.55 -27.03 46.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.428 2.085 . . . . 0.0 112.202 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.57 -29.18 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . -58.96 -30.04 67.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.51 -33.75 70.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -84.56 -24.24 29.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.31 157.31 11.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.17 -31.55 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.497 ' NE ' HD12 ' A' ' 43' ' ' LEU . 5.4 tmm_? -57.78 -51.81 68.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 tpt -57.96 -30.32 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -57.22 -39.25 75.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.65 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -79.94 -29.07 39.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.91 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.735 HD22 HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.74 -43.43 90.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.685 HG12 ' HD3' ' A' ' 48' ' ' LYS . 23.0 t -61.15 -59.64 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.83 -41.09 81.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.615 ' O ' HG23 ' A' ' 50' ' ' VAL . 15.3 t80 -60.44 -46.96 88.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.21 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.234 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.685 ' HD3' HG12 ' A' ' 44' ' ' VAL . 15.4 mtpt -68.03 -35.37 78.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -76.2 -36.82 58.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.1 t -75.49 -51.49 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.216 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.656 ' OE1' HG13 ' A' ' 19' ' ' VAL . 12.9 pt-20 -49.34 -46.97 47.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.917 0.389 . . . . 0.0 110.289 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.5 77.53 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.452 -0.88 . . . . 0.0 110.961 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.34 -28.99 47.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.948 0.404 . . . . 0.0 110.309 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -66.92 -45.69 77.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.747 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 43.8 t80 -60.81 -22.68 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.198 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.65 -30.68 17.0 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.133 -0.355 . . . . 0.0 111.694 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.585 ' HB3' HD11 ' A' ' 67' ' ' LEU . 33.3 t -67.36 -48.65 66.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.981 0.419 . . . . 0.0 110.561 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.524 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -75.32 131.08 40.04 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.117 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.474 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.3 p-10 -99.4 6.48 46.04 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 176.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.83 170.98 17.51 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.339 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.451 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -69.0 -60.36 2.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.8 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.27 -45.73 45.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.703 ' O ' HD23 ' A' ' 67' ' ' LEU . 4.4 tt0 -59.19 -49.5 77.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.274 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.446 ' HA ' ' HB2' ' A' ' 58' ' ' ALA . 25.4 t80 -48.99 -42.98 39.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.773 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.823 ' CE1' HD21 ' A' ' 18' ' ' LEU . 1.1 m-85 -77.94 -25.65 48.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.176 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -74.41 -57.34 4.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.845 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 63' ' ' GLU . 0.9 OUTLIER -68.75 -32.99 73.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.727 0.298 . . . . 0.0 111.097 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 68' ' ' LEU . 10.4 tt -69.34 -31.46 69.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.806 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.74 -35.68 51.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -57.17 -45.39 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 75' ' ' ILE . 6.5 mtpp -60.02 -54.03 50.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 25' ' ' ALA . 30.1 mm -64.55 -31.38 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -70.29 -44.66 67.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.793 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -45.39 64.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 71' ' ' LYS . 10.4 mt -66.45 -32.82 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -64.27 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -29.48 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.47 -24.76 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.488 ' HA ' HD21 ' B' ' 99' ' ' LEU . 35.7 tp -55.49 -39.14 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.271 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -31.06 68.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.961 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.45 -31.28 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.65 ' HG3' HD23 ' B' ' 99' ' ' LEU . 2.4 mmtt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.755 0.312 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.51 -36.24 66.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -31.54 50.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.812 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.12 -44.64 72.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.427 HD23 ' CD ' ' A' ' 39' ' ' ARG . 2.1 mp -60.76 -44.48 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.65 HD23 ' HG3' ' A' ' 82' ' ' LYS . 2.5 tp -59.55 -31.11 69.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -61.47 -42.43 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.59 -30.99 69.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -80.42 -43.52 20.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.22 -30.15 70.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 7.5 ttp . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.456 0.17 . . . . 0.0 111.334 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.5 62.63 2.29 Favored Glycine 0 C--N 1.334 0.466 0 N-CA-C 107.253 -2.339 . . . . 0.0 107.253 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.72 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.4 -64.16 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -174.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 20.5 t60 -77.42 -14.35 59.72 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.654 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -47.6 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 9' ' ' HIS . 8.9 t60 -125.9 22.47 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' A' ' 61' ' ' ARG . 74.7 t -106.52 -51.42 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.444 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 3.2 p 53.1 170.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.502 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -74.62 -40.33 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.213 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.91 -56.13 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.446 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -31.05 67.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.938 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.686 ' O ' HG23 ' A' ' 19' ' ' VAL . 9.1 ttt180 -64.6 -47.39 78.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -30.59 68.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -71.86 -30.77 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.583 HD21 ' CZ ' ' A' ' 65' ' ' TYR . 11.8 mt -80.16 -30.45 38.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 15' ' ' ARG . 32.8 t -62.2 -30.77 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -32.1 69.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -59.33 -43.9 92.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -32.15 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -74.81 -29.66 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -29.37 63.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -56.25 -58.2 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.608 ' HB ' HD21 ' A' ' 43' ' ' LEU . 33.1 mt -71.4 -31.02 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.413 ' CE2' ' CD1' ' B' ' 101' ' ' PHE . 0.1 OUTLIER -137.04 83.61 27.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.98 -46.25 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.575 2.183 . . . . 0.0 112.434 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.76 149.86 81.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.12 153.44 67.29 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -161.28 87.59 1.64 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.743 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.98 -26.91 83.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.496 2.131 . . . . 0.0 112.1 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.69 -24.9 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.048 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 31' ' ' ASP . . . -61.8 -31.18 71.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.21 -31.8 69.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.749 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.34 -25.15 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.28 137.68 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -31.24 71.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.67 ' HD2' HD23 ' B' ' 98' ' ' LEU . 0.1 OUTLIER -60.18 -36.86 78.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.649 ' CE ' HD13 ' A' ' 43' ' ' LEU . 2.3 tpt -58.33 -29.41 65.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -34.64 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.728 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -79.93 -30.82 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.808 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.649 HD13 ' CE ' ' A' ' 40' ' ' MET . 0.4 OUTLIER -58.67 -42.74 89.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 t -67.13 -58.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.95 -34.9 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -65.79 -51.02 62.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.23 -31.19 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -64.39 -30.84 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -37.91 57.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.66 -51.93 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.62 -49.12 48.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.892 0.377 . . . . 0.0 110.287 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.84 -29.36 72.11 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.047 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.33 -29.58 47.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.028 0.442 . . . . 0.0 110.227 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.3 mmt -64.44 -38.34 90.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.761 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.72 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 46.7 t80 -68.78 -22.83 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -90.52 -32.95 16.12 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.784 0.326 . . . . 0.0 111.654 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.438 ' HB3' HD11 ' A' ' 67' ' ' LEU . 15.1 t -67.54 -50.26 59.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.894 0.378 . . . . 0.0 110.459 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.527 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -72.16 128.94 37.25 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.868 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 13.1 p-10 -98.45 7.26 46.41 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.8 m -148.63 174.59 11.98 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.212 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.499 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.27 -57.44 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.982 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.99 -37.22 52.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -68.69 -41.14 79.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.723 ' HA ' HD22 ' A' ' 67' ' ' LEU . 28.3 t80 -60.83 -39.32 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.759 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.583 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -77.73 -30.39 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -80.87 -55.71 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.339 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.876 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -53.86 -27.67 31.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.217 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.876 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.5 tt -75.93 -37.78 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -33.58 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.34 -37.88 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 75' ' ' ILE . 1.4 mmmp? -68.41 -55.76 10.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.724 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.566 HG23 ' HB2' ' A' ' 25' ' ' ALA . 13.2 mt -64.73 -30.97 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -68.06 -57.84 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.753 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -45.66 88.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 71' ' ' LYS . 17.3 mt -67.82 -30.64 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -61.21 -44.07 97.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -74.84 -30.85 61.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.51 -29.01 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.709 HD12 ' HG ' ' B' ' 99' ' ' LEU . 7.9 tp -57.47 -30.54 65.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -74.21 -31.19 62.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -31.62 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.791 ' HG3' HD23 ' B' ' 99' ' ' LEU . 5.6 mmtm . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.774 0.321 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.6 -36.58 67.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.817 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 28.0 m -78.16 -31.08 49.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.83 -38.25 87.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.67 HD23 ' HD2' ' A' ' 39' ' ' ARG . 6.9 mt -73.19 -31.08 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.791 HD23 ' HG3' ' A' ' 82' ' ' LYS . 5.0 tp -76.45 -37.57 56.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.71 -30.22 70.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.413 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 5.6 t80 -58.47 -54.91 41.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 93.7 p -77.26 -38.18 51.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.79 71.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 24.0 tpp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 9.7 mtmm . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 36.51 41.64 0.57 Allowed Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.679 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -74.87 -64.28 1.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -175.228 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.402 ' CE1' ' OH ' ' A' ' 55' ' ' TYR . 9.4 m80 -80.48 -13.82 58.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HG2' ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.64 -48.06 10.5 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -178.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.411 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -126.84 21.38 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.569 HG21 ' CZ3' ' A' ' 6' ' ' TRP . 71.6 t -109.51 -50.5 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p 48.67 -179.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.63 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -74.89 -52.51 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.608 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.26 -56.12 25.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.783 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -29.74 67.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.057 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -68.84 -51.62 38.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -59.5 -30.72 68.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -64.6 -30.75 71.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.758 HD21 ' CE1' ' A' ' 65' ' ' TYR . 11.9 mt -81.36 -29.25 34.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.446 HG13 ' HG2' ' A' ' 51' ' ' GLU . 40.9 t -58.44 -30.57 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.078 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -61.28 -28.55 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.85 -42.48 84.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.4 mm? -62.11 -34.55 76.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.764 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.9 t -74.07 -29.86 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.83 -28.29 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.824 ' HB2' HD12 ' A' ' 72' ' ' ILE . . . -58.96 -66.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.157 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 22' ' ' LEU . 3.9 mp -62.9 -30.54 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.85 84.84 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.41 -46.21 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.613 2.209 . . . . 0.0 112.387 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 p -74.14 148.0 86.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.44 146.31 49.85 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.595 2.197 . . . . 0.0 112.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.13 92.05 3.32 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.58 -25.15 75.39 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.387 2.058 . . . . 0.0 112.18 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.23 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.16 75.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.62 -31.34 68.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.667 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -85.08 -24.25 28.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.31 146.56 47.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -73.14 -30.82 63.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.711 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.61 -37.38 81.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -30.22 61.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.81 -33.72 68.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.619 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -79.94 -30.75 39.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.776 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.711 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -58.77 -44.93 90.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -60.29 -58.53 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.019 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.8 -39.84 71.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.674 ' CZ ' HD23 ' B' ' 95' ' ' LEU . 31.8 t80 -62.75 -57.54 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.764 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 22' ' ' LEU . . . -60.18 -42.1 94.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -60.15 -30.98 69.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -44.28 54.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -68.05 -54.04 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HG2' HG13 ' A' ' 19' ' ' VAL . 2.7 pp20? -50.32 -46.67 55.67 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.21 -29.3 74.05 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.374 -0.917 . . . . 0.0 110.907 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -78.31 -29.79 47.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.007 0.432 . . . . 0.0 110.17 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.546 ' HG3' HD12 ' A' ' 68' ' ' LEU . 18.1 mmt -65.4 -33.04 75.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.679 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 43.0 t80 -74.79 -22.65 58.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.164 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.27 -22.57 21.54 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 122.194 -0.316 . . . . 0.0 111.828 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.1 t -81.67 -42.07 20.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.995 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.554 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -75.29 125.37 28.83 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.444 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.54 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.5 p-10 -88.38 2.54 52.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.31 162.44 37.73 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.566 ' HG3' HG22 ' A' ' 10' ' ' VAL . 3.9 ttp180 -59.62 -49.58 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.48 -48.68 47.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -64.81 -36.08 83.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.712 ' HA ' HD22 ' A' ' 67' ' ' LEU . 28.1 t80 -61.66 -39.37 91.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.781 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.758 ' CE1' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -77.71 -30.11 51.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -80.81 -57.11 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.903 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.62 -27.64 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.903 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.3 tp -78.81 -41.45 30.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.16 90.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.094 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -58.8 -43.06 90.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 75' ' ' ILE . 5.0 mtpt -64.14 -55.74 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.824 HD12 ' HB2' ' A' ' 25' ' ' ALA . 32.2 mm -64.17 -29.21 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.69 -52.55 36.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.818 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -45.53 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.489 HD12 ' O ' ' A' ' 71' ' ' LYS . 16.3 mt -63.26 -29.94 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.17 -54.74 43.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.72 -29.86 70.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -26.26 62.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.015 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.766 ' HA ' HD11 ' B' ' 99' ' ' LEU . 2.3 tt -54.66 -52.67 61.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.029 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -30.76 46.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.2 -28.05 69.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.649 ' CG ' HD12 ' B' ' 99' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.008 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.733 0.301 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 46' ' ' TYR . 0.5 OUTLIER -55.13 -33.05 62.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.859 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 28.4 p -78.02 -35.44 49.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -78.72 -31.32 46.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.519 ' HB3' HG21 ' A' ' 26' ' ' ILE . 6.4 mt -78.4 -44.37 25.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.766 HD11 ' HA ' ' A' ' 79' ' ' LEU . 2.5 tm? -59.29 -38.55 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -66.11 -36.53 83.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.433 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 16.0 t80 -60.17 -34.34 73.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.4 t -86.19 -34.99 20.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.62 -31.47 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.1 mmm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.628 ' O ' ' O ' ' A' ' 59' ' ' ASN . 2.9 mtmm . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 119.691 -0.195 . . . . 0.0 111.339 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 32.03 45.91 0.2 Allowed Glycine 0 C--N 1.347 1.14 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -81.02 -64.31 1.22 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -175.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -74.25 -12.09 60.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.43 -53.39 5.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -177.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HB3' ' HG3' ' A' ' 61' ' ' ARG . 48.4 t-80 -138.48 34.09 2.26 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.824 HG22 ' HG2' ' A' ' 61' ' ' ARG . 5.1 t -100.71 -62.29 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.806 177.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p 55.44 169.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.315 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -74.33 -36.13 63.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.63 -56.02 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.54 -37.07 85.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.666 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.8 tmm_? -65.45 -47.59 75.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 t -58.26 -30.79 66.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -73.45 -29.86 62.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 64' ' ' TYR . 1.4 mt -81.84 -30.33 32.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 15' ' ' ARG . 49.1 t -57.57 -31.42 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -71.99 -29.24 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.823 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -57.84 -41.49 82.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.719 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -36.25 78.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.2 t -77.4 -30.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -73.33 -31.43 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.808 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -59.34 -47.12 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.957 HD12 HD21 ' A' ' 43' ' ' LEU . 30.6 mt -74.4 -38.59 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -132.43 73.02 77.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.42 -62.72 0.24 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.612 2.208 . . . . 0.0 112.343 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 p -59.91 148.12 77.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.32 146.45 50.79 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.518 2.145 . . . . 0.0 112.317 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.7 t70 -150.92 91.9 3.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.59 -25.88 75.66 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.413 2.075 . . . . 0.0 112.149 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.32 40.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.83 -33.4 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.96 -31.77 70.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.98 -25.34 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.08 142.56 51.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.8 -29.74 68.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.84 -39.77 82.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.942 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 42.1 tpp -59.5 -29.11 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -56.68 -31.62 64.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.91 -32.99 40.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.812 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.957 HD21 HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -60.8 -43.15 98.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.478 HG12 ' CD ' ' A' ' 48' ' ' LYS . 23.9 t -60.3 -58.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.6 73.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.682 ' O ' HG23 ' A' ' 50' ' ' VAL . 76.1 t80 -60.13 -56.83 16.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.785 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.04 -29.4 70.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CD ' HG12 ' A' ' 44' ' ' VAL . 7.5 mtpm? -65.69 -39.0 90.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -80.83 -36.42 31.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.055 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.0 t -75.61 -46.0 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.391 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -48.47 -47.11 38.7 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.759 0.314 . . . . 0.0 110.377 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.25 -32.63 83.33 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.42 -0.895 . . . . 0.0 110.955 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.5 -28.11 46.28 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.027 0.441 . . . . 0.0 110.359 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -73.59 -35.45 65.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.827 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 4.2 t80 -67.52 -54.85 16.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.59 -30.49 65.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.834 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.52 -27.83 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.401 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.467 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -94.92 127.46 40.98 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.877 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.628 ' O ' ' O ' ' A' ' 4' ' ' LYS . 3.3 m-20 -77.83 -5.24 50.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 176.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.452 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 52.9 m -153.99 178.7 9.65 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.172 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.824 ' HG2' HG22 ' A' ' 10' ' ' VAL . 1.1 tmm_? -67.19 -60.3 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.82 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -46.78 -48.56 20.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.58 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.88 -34.86 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.091 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.762 ' CE2' HD13 ' A' ' 18' ' ' LEU . 28.6 t80 -67.0 -29.68 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.062 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -43.27 31.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.144 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -79.36 -30.09 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.89 -54.7 8.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.595 HD22 HD11 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -58.58 -36.54 74.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.65 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.203 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -43.01 88.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.498 ' O ' HD12 ' A' ' 75' ' ' ILE . 14.3 mmmm -62.61 -55.84 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.721 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.808 HG23 ' HB2' ' A' ' 25' ' ' ALA . 7.3 mt -63.19 -31.58 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.715 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -73.18 -37.73 66.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.703 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -78.5 -45.31 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 71' ' ' LYS . 7.8 mt -65.81 -32.99 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.11 -54.03 50.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -31.05 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.8 -31.56 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.568 ' HA ' HD21 ' B' ' 99' ' ' LEU . 4.1 tt -59.12 -31.4 68.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.34 -31.28 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.81 -31.26 70.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.956 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.801 0.334 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.54 -36.81 67.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.842 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 81.1 p -78.15 -31.19 49.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.756 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.39 -36.06 77.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -79.99 -31.26 39.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.568 HD21 ' HA ' ' A' ' 79' ' ' LEU . 9.0 tp -61.37 -48.38 81.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.03 -32.67 71.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.43 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 45.3 t80 -60.58 -42.4 96.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -72.38 -31.79 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.86 -38.44 57.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 12.5 mmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HD3' ' HB2' ' A' ' 59' ' ' ASN . 0.9 OUTLIER . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.384 0.135 . . . . 0.0 111.253 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.29 63.88 2.12 Favored Glycine 0 C--N 1.334 0.422 0 N-CA-C 107.144 -2.382 . . . . 0.0 107.144 175.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.686 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.01 -64.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -174.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 11.1 t60 -69.22 -13.62 62.51 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.434 -177.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.91 -53.17 7.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.555 ' O ' HD13 ' A' ' 14' ' ' LEU . 16.0 t60 -122.42 24.67 9.21 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.835 HG22 ' CZ ' ' A' ' 61' ' ' ARG . 97.1 t -108.82 -56.08 4.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.438 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 1.0 OUTLIER 46.34 -174.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.621 178.624 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.05 -47.45 28.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.454 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -56.33 20.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.813 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -65.8 -42.6 90.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.309 . . . . 0.0 110.972 -179.562 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.556 ' HB2' HG12 ' A' ' 10' ' ' VAL . 71.4 ttt180 -60.04 -50.98 71.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.818 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -58.32 -39.51 79.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -59.25 -28.89 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.992 HD23 HD13 ' A' ' 68' ' ' LEU . 3.6 mp -82.38 -29.75 30.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.64 -36.67 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -62.14 -31.28 71.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.723 ' HG2' HD13 ' A' ' 72' ' ' ILE . 6.1 tttt -60.09 -44.65 94.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -60.67 -38.02 83.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.5 t -65.79 -29.76 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG3' ' HA ' ' A' ' 28' ' ' PRO . 3.1 tt0 -73.32 -29.96 63.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.522 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -57.16 -54.12 50.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 43' ' ' LEU . 30.8 mt -74.27 -41.67 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 29' ' ' THR . 6.9 t80 -130.9 82.76 63.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.726 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 78.2 Cg_exo -50.57 -62.6 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.707 2.272 . . . . 0.0 112.556 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.408 ' O ' ' CZ ' ' A' ' 27' ' ' PHE . 1.1 p -81.43 140.41 48.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -77.97 179.23 6.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.562 2.175 . . . . 0.0 112.321 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -178.01 130.32 0.3 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.33 -29.8 20.59 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.393 2.062 . . . . 0.0 112.23 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.77 -30.98 40.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.06 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.38 -30.45 64.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -88.18 -24.04 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.38 161.53 4.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -29.19 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.125 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.549 ' CD ' HD23 ' B' ' 98' ' ' LEU . 5.8 tmm_? -56.16 -47.11 78.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.028 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.438 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -57.99 -32.18 67.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.34 -40.26 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.564 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -80.03 -30.02 39.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.741 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -59.93 -43.79 94.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 40' ' ' MET . 33.2 t -61.94 -59.34 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.62 95.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.735 ' O ' HG23 ' A' ' 50' ' ' VAL . 31.2 t80 -59.79 -51.74 68.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.42 -28.33 69.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -69.14 -37.5 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.053 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -80.64 -36.1 33.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.039 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 46' ' ' TYR . 23.5 t -75.43 -46.15 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.208 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -49.67 -46.15 49.51 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.53 -31.45 77.68 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.417 -0.897 . . . . 0.0 110.87 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.43 -29.3 46.97 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.992 0.425 . . . . 0.0 110.165 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.4 mmt -77.19 -50.18 13.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.686 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 24.6 t80 -61.93 -23.11 66.15 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.217 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.28 -27.26 20.68 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 t -54.38 -24.37 19.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -99.01 137.15 37.95 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.506 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.471 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 5.7 p-10 -102.87 2.72 35.7 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 m -145.32 176.88 9.23 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.614 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.835 ' CZ ' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.37 -59.6 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.175 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.63 -29.69 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.513 ' HG3' HD23 ' A' ' 67' ' ' LEU . 18.0 tp10 -68.71 -36.99 79.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CE2' HD22 ' A' ' 18' ' ' LEU . 12.0 t80 -68.97 -38.37 79.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.993 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.453 ' OH ' HD21 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -71.12 -29.77 65.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -80.88 -57.11 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 58' ' ' ALA . 4.0 pp -59.18 -29.8 67.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.992 HD13 HD23 ' A' ' 18' ' ' LEU . 4.5 tt -69.07 -52.08 32.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.24 -38.39 73.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.73 -38.6 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.802 ' HE3' HD11 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -69.27 -55.86 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.723 HD13 ' HG2' ' A' ' 21' ' ' LYS . 3.9 mt -63.98 -31.34 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -64.83 -42.89 94.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.708 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -76.63 -43.2 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.948 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.802 HD11 ' HE3' ' A' ' 71' ' ' LYS . 8.3 mt -66.68 -33.82 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -61.03 -41.15 96.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -77.54 -29.56 52.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.7 -31.04 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.575 ' HA ' HD21 ' B' ' 99' ' ' LEU . 1.1 tt -59.28 -31.31 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -70.52 -31.16 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -60.18 -34.01 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.45 ' HG3' HD23 ' B' ' 99' ' ' LEU . 12.1 mmtt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.76 0.314 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.73 HD21 ' OH ' ' A' ' 46' ' ' TYR . 6.7 mt -55.67 -36.57 67.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.81 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 30.1 t -78.07 -31.13 50.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.01 -40.99 95.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.549 HD23 ' CD ' ' A' ' 39' ' ' ARG . 1.7 mp -76.08 -42.51 47.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' A' ' 79' ' ' LEU . 6.0 tp -58.94 -30.16 67.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -62.01 -46.81 87.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.82 -42.51 93.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 72.8 m -75.22 -39.85 59.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.52 -34.29 72.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.533 ' O ' ' C ' ' A' ' 5' ' ' GLY . 3.9 mtmm . . . . . 0 N--CA 1.448 -0.546 0 CA-C-O 119.67 -0.205 . . . . 0.0 111.498 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 33.22 44.05 0.24 Allowed Glycine 0 C--N 1.347 1.142 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.705 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -80.25 -64.16 1.25 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -74.78 -12.1 60.32 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.29 -52.8 5.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -177.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -137.85 36.33 2.39 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -179.013 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 6' ' ' TRP . 1.7 t -117.69 -52.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p 50.62 175.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.604 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -74.71 -41.51 60.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.266 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -57.69 -56.27 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.497 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -33.37 73.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.806 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.884 ' O ' HG23 ' A' ' 19' ' ' VAL . 24.8 ttm180 -60.46 -32.24 71.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 -37.57 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.786 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -65.24 -37.31 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.74 HD13 ' CE2' ' A' ' 64' ' ' TYR . 8.3 mt -69.74 -31.98 70.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.796 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 15' ' ' ARG . 44.3 t -63.72 -29.84 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.05 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -69.56 -32.08 70.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.741 ' HE3' HD23 ' A' ' 68' ' ' LEU . 9.8 mtpp -59.44 -43.87 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.808 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -32.11 70.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.6 t -77.31 -31.04 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -72.73 -34.59 67.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.792 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.0 -47.5 82.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.981 HG23 HD12 ' B' ' 99' ' ' LEU . 33.9 mt -71.54 -30.57 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.011 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' B' ' 102' ' ' SER . 0.3 OUTLIER -148.18 85.06 6.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.61 -46.04 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.562 2.175 . . . . 0.0 112.363 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.7 p -67.66 146.73 98.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.34 146.45 40.09 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.605 2.204 . . . . 0.0 112.284 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.421 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 3.9 t0 -151.25 89.87 4.16 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.753 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 28.0 Cg_endo -62.73 -25.81 75.06 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.432 2.088 . . . . 0.0 112.165 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -24.45 41.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . . . -71.72 -36.77 70.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.113 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.28 -31.68 65.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -87.04 -24.97 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.86 137.81 49.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -59.39 -27.56 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.06 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.477 ' NH2' HD12 ' A' ' 43' ' ' LEU . 2.6 tmm_? -52.01 -51.19 58.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -26.47 60.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.3 -33.23 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -79.9 -31.12 40.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.717 HD21 HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -59.74 -52.36 65.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.935 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.5 -58.95 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.86 67.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.606 ' O ' HG23 ' A' ' 50' ' ' VAL . 34.3 t80 -61.79 -47.88 83.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.742 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.23 63.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -35.69 80.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.109 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -80.85 -36.23 31.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.027 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 46' ' ' TYR . 21.4 t -75.55 -46.0 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.88 -46.79 43.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.785 0.326 . . . . 0.0 110.237 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.8 -32.04 80.36 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.298 -0.953 . . . . 0.0 110.859 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.47 -27.01 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.007 0.432 . . . . 0.0 110.272 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 31.4 mmt -78.15 -39.23 41.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.622 ' O ' ' HZ2' ' A' ' 6' ' ' TRP . 4.9 t80 -68.4 -54.76 15.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.735 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -48.95 -36.28 17.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.3 t -51.81 -54.34 29.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 111.394 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 64' ' ' TYR . . . -64.29 128.38 35.55 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.219 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.53 ' O ' ' O ' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -84.13 -1.99 56.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.522 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.43 -172.71 4.32 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.786 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HG3' HG22 ' A' ' 10' ' ' VAL . 10.1 ttp85 -72.96 -55.43 6.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.7 -53.15 51.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.483 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.52 -25.31 16.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.245 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.74 ' CE2' HD13 ' A' ' 18' ' ' LEU . 10.6 t80 -79.03 -44.8 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.433 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -66.12 -27.18 67.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.34 -57.07 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.11 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 68' ' ' LEU . 3.9 pp -58.9 -30.54 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.101 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.741 HD23 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -64.51 -36.25 83.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.65 99.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.96 -45.46 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.691 ' HD3' HD11 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -63.04 -55.87 21.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.792 HG23 ' HB2' ' A' ' 25' ' ' ALA . 4.2 mt -60.9 -30.77 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -75.16 -57.25 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -57.94 -48.2 80.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.691 HD11 ' HD3' ' A' ' 71' ' ' LYS . 17.9 mt -62.93 -29.92 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.176 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.551 HE21 HG22 ' A' ' 72' ' ' ILE . 4.5 mt-30 -66.32 -50.7 62.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -77.52 -31.13 53.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -61.28 -30.83 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.677 ' HA ' HD23 ' B' ' 99' ' ' LEU . 7.9 tp -59.21 -31.1 68.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.23 -31.0 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.06 -32.52 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.756 0.312 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.529 HD23 ' C ' ' B' ' 95' ' ' LEU . 8.6 tt -55.29 -33.0 62.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.829 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.6 m -78.16 -34.51 49.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.67 -31.01 46.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.717 HD21 ' HA ' ' A' ' 43' ' ' LEU . 12.0 tp -74.66 -34.84 62.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.981 HD12 HG23 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -80.28 -29.16 38.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.012 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.52 -48.81 78.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.41 ' CD2' ' HG3' ' A' ' 39' ' ' ARG . 22.3 t80 -59.57 -31.31 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . 0.41 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 1.2 m -81.04 -31.5 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.43 -31.0 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 120.373 0.13 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.82 64.5 1.89 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 107.153 -2.379 . . . . 0.0 107.153 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.679 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.7 -65.29 1.03 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 -174.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -62.45 -13.06 25.93 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.001 -0.999 . . . . 0.0 113.48 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.38 -52.59 7.58 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -177.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.401 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 69.6 t60 -133.94 37.39 3.24 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.679 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -112.98 -46.19 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p 47.55 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.711 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -52.58 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.579 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.66 -56.29 22.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.761 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.6 68.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 111.024 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 19' ' ' VAL . 78.1 ttt180 -69.06 -52.18 31.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.705 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -60.44 -38.59 84.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -59.59 -31.42 69.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.831 HD13 ' CE2' ' A' ' 64' ' ' TYR . 5.9 mt -77.28 -33.16 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.782 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 15' ' ' ARG . 39.3 t -59.74 -31.23 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.66 -28.94 69.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.808 ' CB ' HD21 ' A' ' 68' ' ' LEU . 20.5 mmtt -57.77 -45.33 86.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.446 HD11 ' HG3' ' A' ' 54' ' ' MET . 2.5 mp -60.28 -32.12 70.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.763 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.8 t -73.57 -30.25 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -31.28 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB1' ' HB ' ' A' ' 75' ' ' ILE . . . -58.12 -38.14 75.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 1.086 HD12 HD21 ' A' ' 43' ' ' LEU . 28.4 mt -87.53 -32.02 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 29' ' ' THR . 9.9 t80 -141.48 78.68 18.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.767 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.8 -62.17 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.686 2.258 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.408 ' O ' ' CZ ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -69.24 136.36 89.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.71 175.5 11.29 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.496 2.13 . . . . 0.0 112.27 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -177.17 130.29 0.34 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 -27.17 24.46 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.482 2.121 . . . . 0.0 112.293 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.62 -29.58 41.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.27 -47.96 83.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.54 -27.82 58.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.74 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -93.26 -22.24 19.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 151.72 15.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.855 0.359 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -73.11 -29.69 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.597 ' NH1' HD12 ' A' ' 43' ' ' LEU . 2.6 ppt_? -62.09 -34.5 76.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.953 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.468 ' HE3' HD13 ' A' ' 43' ' ' LEU . 1.2 tpt -59.95 -29.48 68.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -56.74 -34.0 67.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -79.97 -31.19 39.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.086 HD21 HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -63.62 -42.67 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 40' ' ' MET . 21.8 t -59.34 -59.38 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.35 76.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.498 ' O ' HG23 ' A' ' 50' ' ' VAL . 33.9 t80 -67.37 -51.8 47.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.53 -30.98 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -64.61 -32.18 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -40.93 24.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.3 t -75.54 -44.77 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.88 -42.84 48.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.887 0.375 . . . . 0.0 110.269 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.76 81.53 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.446 -0.883 . . . . 0.0 110.917 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -78.51 -28.39 46.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.957 0.408 . . . . 0.0 110.245 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.446 ' HG3' HD11 ' A' ' 22' ' ' LEU . 26.9 mmt -70.42 -49.74 45.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.547 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 9.2 t80 -57.31 -54.11 50.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.13 -39.35 63.42 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.695 ' HB3' HD22 ' A' ' 67' ' ' LEU . 36.1 t -47.07 -29.05 1.96 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 111.394 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -93.03 134.98 34.62 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.621 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.456 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 8.5 p-10 -97.24 0.8 48.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m -148.42 -178.75 6.49 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.708 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.544 ' HG2' HG22 ' A' ' 10' ' ' VAL . 3.5 tmm_? -74.41 -55.76 5.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -55.86 -42.04 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -59.06 -31.3 68.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.831 ' CE2' HD13 ' A' ' 18' ' ' LEU . 9.4 t80 -76.02 -30.47 58.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.435 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -76.68 -28.8 56.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.983 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -80.9 -51.96 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.778 HD12 ' N ' ' A' ' 68' ' ' LEU . 4.4 pp -57.77 -29.93 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.064 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.808 HD21 ' CB ' ' A' ' 21' ' ' LYS . 4.8 tt -68.91 -53.08 23.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.533 ' HA ' HG22 ' A' ' 72' ' ' ILE . . . -61.86 -22.46 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.83 -37.93 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 110.407 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.663 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -82.05 -41.74 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.685 HD12 ' HB3' ' A' ' 21' ' ' LYS . 8.3 tt -58.68 -40.36 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 110.986 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.17 -32.18 61.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.68 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -70.18 -56.25 7.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.663 HD12 ' O ' ' A' ' 71' ' ' LYS . 3.5 mt -63.35 -29.97 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.08 -31.22 68.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -75.83 -31.14 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -61.26 -31.48 71.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.646 ' HG ' HD11 ' B' ' 99' ' ' LEU . 8.3 mt -59.83 -31.39 69.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.22 -31.6 72.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.06 -31.38 72.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.494 ' HG2' HD23 ' B' ' 99' ' ' LEU . 8.6 mmtm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.765 0.317 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.48 -35.53 65.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 36.5 m -78.05 -31.36 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.809 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.47 -43.04 77.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.71 -35.61 72.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.646 HD11 ' HG ' ' A' ' 79' ' ' LEU . 7.6 tp -69.74 -33.18 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.32 -36.15 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.456 ' CD2' ' NE ' ' A' ' 39' ' ' ARG . 83.0 t80 -63.85 -47.41 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 70.8 m -67.66 -37.62 82.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.67 -40.35 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 15.3 ttm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 111.342 0.127 . . . . 0.0 111.342 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.68 60.83 2.48 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 107.34 -2.304 . . . . 0.0 107.34 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.18 -64.34 1.2 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -175.071 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.669 ' CE1' ' HH ' ' A' ' 55' ' ' TYR . 39.6 m80 -74.65 -12.88 60.55 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.459 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.81 -53.1 6.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -177.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.411 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 4.9 m170 -123.72 19.55 9.44 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 6' ' ' TRP . 87.5 t -103.1 -56.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' VAL . 1.3 p 53.71 164.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.546 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -74.87 -48.22 26.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.692 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.39 -56.27 22.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.812 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 10' ' ' VAL . 6.9 tt -63.19 -29.71 71.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.072 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.68 ' O ' HG23 ' A' ' 19' ' ' VAL . 12.0 ttm180 -65.49 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -31.5 69.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -72.12 -31.64 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.839 HD21 ' CE1' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -78.72 -30.94 46.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 15' ' ' ARG . 47.3 t -58.64 -29.57 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -72.22 -27.91 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -57.44 -46.21 83.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.421 ' CD1' HD11 ' A' ' 68' ' ' LEU . 4.0 mp -59.73 -31.83 69.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.8 t -74.13 -29.71 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -70.82 -26.78 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.859 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -56.84 -64.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.166 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.522 ' CD1' HD21 ' A' ' 43' ' ' LEU . 5.1 mt -63.13 -30.77 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.69 85.04 17.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.51 -46.23 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.58 2.186 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.19 148.4 86.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.18 146.54 51.79 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.548 2.165 . . . . 0.0 112.322 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 32' ' ' PRO . 34.0 t0 -152.88 89.83 3.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 25.7 Cg_endo -62.07 -26.21 78.07 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.471 2.114 . . . . 0.0 112.135 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.59 -26.06 41.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.059 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.12 77.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.08 -31.4 67.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.744 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -85.43 -24.11 27.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.83 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.67 145.22 55.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -30.0 66.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.686 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -59.34 -38.94 81.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -30.03 64.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -57.3 -32.84 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.803 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -79.95 -30.98 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.759 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.686 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -59.65 -47.04 87.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.3 t -59.79 -58.98 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.27 67.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.621 ' OH ' HD21 ' B' ' 95' ' ' LEU . 20.2 t80 -69.12 -56.47 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.34 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -60.62 -30.83 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -42.22 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.707 HG12 ' SD ' ' A' ' 54' ' ' MET . 22.6 t -70.8 -53.35 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.91 -46.72 52.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.858 0.361 . . . . 0.0 110.122 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.9 -29.73 73.25 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.34 -0.933 . . . . 0.0 110.915 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.2 -29.42 57.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.035 0.445 . . . . 0.0 110.098 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.707 ' SD ' HG12 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -65.88 -31.65 72.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.693 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.669 ' HH ' ' CE1' ' A' ' 7' ' ' HIS . 27.6 t80 -78.4 -23.24 46.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.036 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.45 -25.43 20.34 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.74 0.305 . . . . 0.0 111.409 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.401 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 1.2 m -78.7 -34.96 45.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.011 0.434 . . . . 0.0 110.154 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.529 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -86.6 128.31 34.98 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.799 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.476 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.4 p-10 -97.61 4.91 50.07 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -152.28 157.2 41.05 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.732 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' HD3' ' CB ' ' A' ' 9' ' ' HIS . 5.1 ttt85 -58.13 -50.83 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.785 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -50.06 -48.9 52.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.06 -36.86 85.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.558 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.649 ' HA ' HD22 ' A' ' 67' ' ' LEU . 28.0 t80 -61.24 -41.15 96.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.829 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.839 ' CE1' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.69 -29.29 51.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.038 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 39.4 m170 -80.67 -57.08 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.896 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.24 -27.75 62.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.049 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.896 ' N ' HD23 ' A' ' 67' ' ' LEU . 10.1 tt -74.12 -31.0 62.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.59 78.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -40.73 84.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -65.6 -55.8 15.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.765 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.859 HG23 ' HB2' ' A' ' 25' ' ' ALA . 47.5 mt -64.21 -31.73 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -72.3 -48.58 41.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.783 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -63.18 -45.26 92.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 71' ' ' LYS . 11.5 mt -67.64 -34.32 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -35.72 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -31.65 63.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.85 -30.89 71.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.482 ' HA ' HD21 ' B' ' 99' ' ' LEU . 0.7 OUTLIER -59.99 -31.68 70.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.954 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -62.62 -33.02 74.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.04 -31.62 72.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 . . . . . 0 N--CA 1.46 0.046 0 CA-C-O 120.748 0.309 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.621 HD21 ' OH ' ' A' ' 46' ' ' TYR . 2.1 mt -55.81 -36.61 67.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.799 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -31.33 50.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.8 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -44.44 69.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.448 ' HB3' HG21 ' A' ' 26' ' ' ILE . 34.6 mt -60.79 -36.88 80.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' ' 79' ' ' LEU . 10.2 tp -80.27 -32.7 38.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -60.72 -45.07 95.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -60.13 -34.71 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.9 m -76.31 -31.53 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.63 -30.69 68.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.4 mtmm . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.724 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 32.25 45.23 0.19 Allowed Glycine 0 C--N 1.347 1.165 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.706 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.27 -64.18 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -175.261 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.415 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 62.5 t-80 -75.48 -13.33 60.37 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -52.67 7.94 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.461 ' O ' HD22 ' A' ' 14' ' ' LEU . 7.7 t60 -127.37 38.49 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 6' ' ' TRP . 47.8 t -121.12 -56.74 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.415 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 0.8 OUTLIER 44.44 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.935 178.26 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -75.16 -47.63 27.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.516 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.88 -56.37 23.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.965 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.839 HD23 ' NH2' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -62.26 -29.74 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.972 -179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -69.65 -53.43 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.706 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -56.53 -37.73 70.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -62.13 -29.81 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.781 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' A' ' 65' ' ' TYR . 9.6 mt -80.99 -29.91 35.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.55 ' O ' HG23 ' A' ' 23' ' ' VAL . 56.8 t -56.06 -40.91 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -60.59 -48.6 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.621 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -59.4 -32.96 70.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.5 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.774 HD23 ' HB1' ' A' ' 47' ' ' ALA . 16.2 tp -68.15 -34.34 76.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.423 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 19' ' ' VAL . 44.3 t -77.32 -29.01 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.93 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -25.58 66.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.94 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -52.51 -45.4 66.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.144 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.562 HD13 HD21 ' A' ' 43' ' ' LEU . 4.3 mp -87.61 -31.39 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -134.78 76.22 60.38 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.757 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.12 -63.24 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.665 2.243 . . . . 0.0 112.598 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 p -69.53 153.24 95.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.994 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.63 160.83 41.39 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.655 2.236 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 3.9 t70 -163.52 88.52 1.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 23.0 Cg_endo -61.37 -25.82 80.64 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.428 2.086 . . . . 0.0 112.182 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.65 -24.42 41.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.013 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.98 81.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.42 -30.78 63.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -85.48 -24.78 27.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.858 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.66 133.81 52.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -60.24 -29.38 68.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.681 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.39 -38.52 77.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -29.84 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.23 -35.53 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.74 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -79.89 -30.33 40.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.856 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.681 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -59.04 -45.85 89.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 t -59.25 -57.81 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.48 -33.02 52.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CZ ' ' CD2' ' B' ' 95' ' ' LEU . 55.5 t80 -67.41 -54.27 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.688 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.774 ' HB1' HD23 ' A' ' 22' ' ' LEU . . . -61.43 -30.16 70.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -69.13 -32.94 72.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -75.07 -39.57 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.559 HG11 ' CE ' ' A' ' 71' ' ' LYS . 13.1 t -74.32 -51.25 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.564 ' HB3' HD22 ' A' ' 22' ' ' LEU . 15.9 pt-20 -50.19 -43.63 52.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.888 0.375 . . . . 0.0 110.0 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.21 -31.91 82.35 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.77 -31.86 57.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.111 0.481 . . . . 0.0 110.013 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.3 mmt -70.99 -31.74 68.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.507 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.706 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 41.0 t80 -73.14 -22.54 60.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.987 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -90.32 -21.93 21.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.26 -42.41 25.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.87 0.367 . . . . 0.0 111.055 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -75.62 126.05 30.24 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.566 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.524 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 12.7 m120 -91.82 5.65 49.08 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -161.94 164.33 28.52 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.744 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.839 ' NH2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.73 -53.78 53.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.926 0.393 . . . . 0.0 110.772 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -46.45 -52.42 13.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.451 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.416 ' HB3' ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -57.44 -45.75 84.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.897 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.527 ' CE2' HD13 ' A' ' 18' ' ' LEU . 36.1 t80 -58.84 -35.12 72.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CE1' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.77 -29.89 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.269 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -80.87 -57.18 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.48 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 58' ' ' ALA . 4.1 pp -59.85 -31.64 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.271 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.61 -32.93 74.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.75 -27.68 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.324 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -53.89 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.228 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.559 ' CE ' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.49 -44.13 89.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.151 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.94 HG23 ' HB2' ' A' ' 25' ' ' ALA . 43.8 mt -66.66 -32.41 57.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.731 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -70.65 -50.05 40.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.641 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.88 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 71' ' ' LYS . 15.0 mt -66.97 -29.84 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.111 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -58.34 -31.17 67.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -77.37 -30.95 54.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.38 -29.92 69.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.704 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.9 tt -57.75 -34.29 69.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.75 -31.32 70.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.9 -31.23 70.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.764 ' HG2' HD23 ' B' ' 99' ' ' LEU . 5.5 mmtm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . 0.44 ' O ' HD12 ' B' ' 98' ' ' LEU . 42.7 mm-40 . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.831 0.348 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.655 HD13 ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -55.41 -37.66 67.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -30.75 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -66.3 -38.69 88.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.44 HD12 ' O ' ' B' ' 94' ' ' GLU . 5.4 mp -80.04 -31.94 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.764 HD23 ' HG2' ' A' ' 82' ' ' LYS . 2.5 tp -66.44 -29.9 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.15 -52.46 65.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -59.72 -31.16 69.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -75.61 -26.52 57.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.78 -27.43 41.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.268 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 42.8 mtt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.942 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.247 0.07 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.423 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.67 64.3 1.84 Allowed Glycine 0 C--N 1.332 0.355 0 N-CA-C 107.095 -2.402 . . . . 0.0 107.095 175.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.716 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.63 -65.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -174.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -62.72 -12.82 26.27 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.055 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 1.1 pp20? -43.93 -53.21 6.34 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -134.4 32.45 3.37 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.716 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -107.07 -49.22 8.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.692 177.743 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.6 p 53.86 169.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.344 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -74.55 -31.29 62.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.13 -56.22 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.191 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -35.73 79.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.937 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 19' ' ' VAL . 33.4 ttm180 -60.77 -44.15 97.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.98 -46.49 89.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -59.29 -30.83 68.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 68' ' ' LEU . 81.8 mt -77.09 -29.94 55.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 15' ' ' ARG . 39.1 t -67.01 -29.63 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -67.98 -29.04 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.542 ' HB3' HD11 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -57.54 -45.41 85.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.89 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.428 HD21 ' SD ' ' A' ' 54' ' ' MET . 3.0 mp -59.93 -32.3 70.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.782 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.38 -30.05 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.6 -31.46 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.696 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -57.41 -48.94 77.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.441 HD12 HD21 ' A' ' 43' ' ' LEU . 30.1 mt -71.4 -50.27 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -130.26 78.32 74.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.1 -62.22 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.627 2.218 . . . . 0.0 112.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 p -64.61 153.15 88.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.41 148.04 53.78 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.576 2.184 . . . . 0.0 112.305 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 18.8 p30 -140.34 86.55 12.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.4 -26.7 81.7 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.455 2.103 . . . . 0.0 112.029 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -25.45 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.57 -31.89 73.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.56 -31.11 69.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -87.09 -26.38 23.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.08 146.9 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.13 -27.75 61.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HD3' ' CD2' ' B' ' 101' ' ' PHE . 0.2 OUTLIER -57.25 -46.85 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.036 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -30.45 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -30.83 65.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -79.95 -31.58 39.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.441 HD21 HD12 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -58.34 -41.87 85.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.2 t -59.95 -58.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.97 91.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.712 ' O ' HG23 ' A' ' 50' ' ' VAL . 57.0 t80 -60.66 -53.16 60.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -28.25 69.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -70.42 -36.19 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -80.74 -34.37 34.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.063 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 46' ' ' TYR . 23.6 t -75.52 -47.42 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.285 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -49.04 -46.38 44.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.792 0.33 . . . . 0.0 110.235 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.58 -31.15 78.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.451 -0.881 . . . . 0.0 110.926 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.4 -28.93 47.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.976 0.417 . . . . 0.0 110.258 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.563 ' HE1' ' HE2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -70.68 -48.92 52.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.837 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 8.9 t80 -59.6 -54.05 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.814 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.63 -39.52 61.82 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.454 ' HB3' HD22 ' A' ' 67' ' ' LEU . 42.7 t -46.88 -29.4 1.98 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 111.271 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.528 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -92.35 135.77 33.75 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.659 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.465 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.5 p-10 -94.45 -0.09 54.99 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.457 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -150.52 175.33 12.0 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.333 179.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.654 ' HG3' HG22 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -72.81 -44.46 61.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.0 -49.41 76.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.994 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.24 -30.6 68.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.565 ' CE2' HD13 ' A' ' 18' ' ' LEU . 7.8 t80 -71.1 -31.77 68.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -29.91 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -75.26 -52.62 10.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 68' ' ' LEU . 4.3 pp -58.5 -29.41 66.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -65.82 -44.12 86.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.919 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.42 92.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.44 -41.55 85.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.563 ' HE2' ' HE1' ' A' ' 54' ' ' MET . 8.2 mmmt -66.33 -55.8 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.763 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.696 HG23 ' HB2' ' A' ' 25' ' ' ALA . 4.6 mt -63.03 -31.56 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.745 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -71.54 -51.16 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.747 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -46.18 86.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 71' ' ' LYS . 11.5 mt -67.14 -31.76 54.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -59.43 -52.57 65.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -63.65 -31.37 72.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.37 -30.71 71.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.7 -44.33 93.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.19 -31.64 70.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.69 -31.51 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.774 0.321 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.7 tp -55.86 -34.67 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.871 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.6 m -78.11 -33.8 50.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.81 -31.25 45.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.27 -30.64 69.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.1 mt -78.78 -30.88 45.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -59.33 -32.78 70.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.415 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 11.0 t80 -59.86 -48.56 81.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 59.9 p -66.17 -36.81 84.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.51 93.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 34.5 mtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.287 0.089 . . . . 0.0 111.047 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.85 64.65 1.89 Allowed Glycine 0 C--N 1.331 0.299 0 N-CA-C 107.191 -2.364 . . . . 0.0 107.191 175.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.693 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.79 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.021 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -62.11 -13.16 23.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.988 -1.005 . . . . 0.0 113.494 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.37 -50.29 9.22 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -177.77 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -131.69 34.26 3.92 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.693 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -115.89 -41.56 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' VAL . 4.4 p 45.79 179.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.022 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -75.0 -46.92 31.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.532 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -72.76 -56.38 5.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.019 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -55.41 -29.54 58.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.113 -179.621 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -69.95 -35.24 74.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.716 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -33.92 72.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -57.76 -30.65 65.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.787 HD13 ' CE2' ' A' ' 64' ' ' TYR . 4.1 mt -80.15 -26.52 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.437 HG13 ' OE1' ' A' ' 51' ' ' GLU . 40.1 t -64.65 -28.76 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -72.41 -29.65 63.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -57.54 -43.28 84.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.79 -33.64 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.38 -29.15 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -76.38 -37.34 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.782 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.45 -41.47 85.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.557 ' HB ' HD21 ' A' ' 43' ' ' LEU . 29.6 mt -72.55 -46.83 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -132.45 72.97 77.63 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.0 -63.01 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.547 2.165 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 p -60.16 139.82 91.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 155.63 17.55 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.503 2.136 . . . . 0.0 112.229 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 32.8 p-10 -155.61 75.32 5.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.27 -25.5 65.29 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.593 2.195 . . . . 0.0 112.073 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.79 -23.84 41.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HB1' ' SD ' ' A' ' 40' ' ' MET . . . -71.45 -36.07 71.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.133 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -57.07 -29.29 63.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -84.29 -25.53 29.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.51 136.26 52.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -70.75 -32.49 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.563 HH21 HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -56.24 -31.1 63.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.08 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.762 ' CE ' HD13 ' A' ' 43' ' ' LEU . 8.5 tpt -55.07 -24.49 25.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -54.9 -28.44 50.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.565 ' HB2' HD21 ' B' ' 98' ' ' LEU . 7.1 m-80 -78.83 -33.75 45.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.762 HD13 ' CE ' ' A' ' 40' ' ' MET . 0.2 OUTLIER -60.63 -37.51 81.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.6 t -79.25 -58.14 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.93 -33.29 50.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.209 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.764 ' CE1' HG21 ' A' ' 50' ' ' VAL . 59.1 t80 -63.06 -52.89 61.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.778 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.53 -28.2 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -67.1 -39.19 86.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -80.79 -36.09 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.764 HG21 ' CE1' ' A' ' 46' ' ' TYR . 21.7 t -75.51 -45.79 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.453 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' OE1' HG13 ' A' ' 19' ' ' VAL . 12.2 pt-20 -49.08 -47.11 45.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.81 0.338 . . . . 0.0 110.294 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.6 77.15 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 178.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -78.5 -28.92 46.41 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.975 0.417 . . . . 0.0 110.251 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.406 ' HG2' HG12 ' A' ' 50' ' ' VAL . 33.6 mmt -77.41 -45.37 26.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.904 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.564 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -59.97 -54.29 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -41.49 62.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.8 t -46.97 -29.06 1.85 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.998 0.428 . . . . 0.0 111.4 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.507 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -93.13 134.59 35.13 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.645 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.459 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 22.2 m120 -95.98 -0.13 51.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 176.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.02 -178.53 6.54 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.576 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.18 -51.08 16.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -46.87 79.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.069 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -58.24 -30.25 66.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.787 ' CE2' HD13 ' A' ' 18' ' ' LEU . 12.9 t80 -74.06 -37.03 64.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.461 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -75.04 -28.43 60.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -73.42 -57.04 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.641 HD12 ' N ' ' A' ' 68' ' ' LEU . 3.9 pp -57.86 -36.51 72.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.08 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.747 HD13 HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -59.73 -36.08 75.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.19 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.17 -37.96 75.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -68.5 -55.77 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 179.771 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.782 HG23 ' HB2' ' A' ' 25' ' ' ALA . 5.7 mt -63.13 -32.49 56.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.417 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 30.5 t80 -75.13 -45.72 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -67.62 -46.92 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 71' ' ' LYS . 11.3 mt -66.8 -31.42 53.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -59.68 -49.42 77.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 25.3 mtpt -77.52 -27.17 51.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.13 -40.59 70.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.23 -30.38 66.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.94 -31.48 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.02 -31.32 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.545 ' O ' HD13 ' B' ' 99' ' ' LEU . 3.0 mt -54.9 -36.05 64.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 96.9 p -78.13 -31.18 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -78.62 -31.15 46.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.565 HD21 ' HB2' ' A' ' 42' ' ' ASN . 4.1 mt -79.81 -50.53 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 95' ' ' LEU . 4.4 mp -60.44 -41.48 94.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.46 -31.23 69.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.71 -39.84 94.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 28.5 p -74.22 -45.59 47.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.76 68.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 43.0 ttm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.5 ' HD3' ' HB2' ' A' ' 59' ' ' ASN . 1.4 mtmm . . . . . 0 N--CA 1.457 -0.08 0 N-CA-C 111.269 0.1 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.88 64.93 1.88 Allowed Glycine 0 C--N 1.332 0.345 0 N-CA-C 107.152 -2.379 . . . . 0.0 107.152 175.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.737 ' CZ2' ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -85.65 -64.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -64.19 -13.24 47.43 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.983 -177.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -44.5 -53.68 6.75 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -177.609 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.419 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 21.6 t-160 -133.35 40.68 3.15 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.619 HG22 ' HE ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -103.67 -54.74 6.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.888 177.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 p 55.61 167.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.3 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -74.31 -33.22 63.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.08 -56.07 25.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.624 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -63.61 -40.42 96.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 19' ' ' VAL . 38.0 ttp85 -62.24 -52.92 61.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.1 m -57.71 -29.76 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.9 -30.32 65.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.816 HD22 ' CE2' ' A' ' 64' ' ' TYR . 1.2 mp -81.27 -30.24 34.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 15' ' ' ARG . 46.7 t -57.54 -41.02 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -60.76 -27.57 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HG3' HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -56.87 -43.44 81.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.821 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.09 -39.34 89.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.5 -28.54 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.05 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -74.44 -33.95 63.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 1.055 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -59.89 -41.09 90.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.991 HD12 HD21 ' A' ' 43' ' ' LEU . 35.1 mt -81.04 -31.31 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.63 77.74 16.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.63 -62.05 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.39 147.94 94.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.47 146.61 44.84 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.517 2.145 . . . . 0.0 112.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -149.5 81.06 7.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.64 -19.06 43.52 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.591 2.194 . . . . 0.0 112.308 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.45 -26.27 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.94 -26.5 59.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.93 -29.41 42.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -96.43 -28.91 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.45 140.22 54.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -59.96 -30.08 68.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.523 ' NH2' HD12 ' A' ' 43' ' ' LEU . 2.1 tmm_? -51.19 -52.74 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -29.29 67.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.7 -32.86 63.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -79.89 -31.61 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.991 HD21 HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -63.74 -43.45 96.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.1 t -58.39 -58.81 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.81 -34.51 71.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CE2' HG21 ' A' ' 50' ' ' VAL . 79.7 t80 -64.24 -54.7 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.682 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.24 -29.7 64.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.061 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -34.56 78.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -39.08 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.57 HG12 ' HG2' ' A' ' 54' ' ' MET . 21.4 t -75.48 -43.46 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.327 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -49.7 -43.68 47.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.868 0.366 . . . . 0.0 110.215 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.19 -32.46 84.23 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.38 -29.14 47.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 0.0 110.123 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.57 ' HG2' HG12 ' A' ' 50' ' ' VAL . 30.7 mmt -79.91 -32.26 40.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.819 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.596 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 15.7 t80 -76.44 -23.93 53.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.38 -30.66 18.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.655 0.264 . . . . 0.0 111.424 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.432 ' OG ' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -49.84 -28.04 5.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.013 0.435 . . . . 0.0 110.766 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.737 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . . . -90.29 134.49 34.27 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.99 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.5 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 1.1 p-10 -104.55 5.18 33.7 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.26 173.64 13.74 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.77 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.619 ' HE ' HG22 ' A' ' 10' ' ' VAL . 1.5 tpm_? -67.91 -60.61 2.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -50.7 -42.4 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.565 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' HB3' ' HB1' ' A' ' 58' ' ' ALA . 6.7 tp10 -52.59 -48.81 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.12 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.816 ' CE2' HD22 ' A' ' 18' ' ' LEU . 24.3 t80 -55.75 -29.12 59.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.78 -55.72 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.199 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -49.03 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.432 HD11 ' OG ' ' A' ' 57' ' ' SER . 6.0 tt -53.8 -57.67 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.328 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.721 HD13 HD23 ' A' ' 18' ' ' LEU . 7.9 tt -52.81 -26.88 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.299 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.89 -40.25 65.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.038 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.52 -46.94 88.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.787 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HD3' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -59.31 -55.76 30.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.737 179.783 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.055 HG23 ' HB2' ' A' ' 25' ' ' ALA . 59.0 mt -63.31 -31.79 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -67.41 -48.59 66.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.72 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -67.28 -45.55 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' A' ' 71' ' ' LYS . 10.4 mt -63.86 -37.2 79.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.17 -33.77 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.827 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -77.41 -31.08 53.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.89 -35.44 80.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.605 ' HA ' HD23 ' B' ' 99' ' ' LEU . 67.2 tp -58.34 -31.53 67.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.1 -30.78 68.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -32.21 72.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mttm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.759 0.314 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 tt -55.44 -38.96 69.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 26.2 t -78.08 -30.94 49.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.85 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.79 -30.74 65.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 mt -75.89 -36.9 59.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 79' ' ' LEU . 1.1 mp -72.61 -37.82 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.8 -32.41 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.423 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 83.1 t80 -59.69 -38.87 82.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -77.11 -31.98 56.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.55 -31.36 42.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.528 ' O ' ' C ' ' A' ' 5' ' ' GLY . 2.7 mtmm . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 33.65 43.47 0.27 Allowed Glycine 0 C--N 1.348 1.222 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.707 ' HZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -80.47 -64.34 1.21 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -175.571 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -80.12 -13.02 59.6 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -176.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.82 -40.52 4.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.65 -178.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.804 ' O ' HD13 ' A' ' 14' ' ' LEU . 2.5 m80 -133.57 20.21 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.758 HG22 ' HG3' ' A' ' 61' ' ' ARG . 15.7 t -114.37 93.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -126.81 -173.56 2.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.112 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -64.01 -42.63 97.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.086 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.58 -42.41 82.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.029 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.804 HD13 ' O ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -77.13 -31.22 55.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.081 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.761 ' O ' HG23 ' A' ' 19' ' ' VAL . 12.2 ttm105 -71.97 -30.6 65.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -58.29 -30.71 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -75.65 -31.26 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.613 HD21 ' CE1' ' A' ' 65' ' ' TYR . 6.2 mt -78.46 -37.35 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 15' ' ' ARG . 33.0 t -59.87 -49.76 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -65.2 -32.44 74.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' O ' HD13 ' A' ' 72' ' ' ILE . 17.3 mttt -62.98 -44.72 95.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -31.76 71.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 19' ' ' VAL . 22.0 t -76.51 -30.79 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.41 ' HG3' ' HA ' ' A' ' 28' ' ' PRO . 1.4 tt0 -62.73 -28.47 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.684 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.54 -62.65 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.199 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.7 HD13 HD21 ' A' ' 43' ' ' LEU . 3.7 mp -68.28 -32.56 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.246 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.73 79.77 27.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 34.7 Cg_exo -59.66 -64.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.646 2.231 . . . . 0.0 112.391 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -67.42 157.52 85.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.52 160.75 47.96 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.736 2.291 . . . . 0.0 112.176 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -165.75 86.23 0.97 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.732 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 19.7 Cg_endo -60.55 -25.05 79.86 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.491 2.128 . . . . 0.0 112.104 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -24.34 41.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.64 79.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt -57.26 -31.02 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -86.11 -24.07 26.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.41 135.23 56.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -30.04 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.69 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.95 -39.81 82.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -29.61 64.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -33.56 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.752 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -80.0 -31.28 39.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.793 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.7 HD21 HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -59.8 -43.84 94.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.64 -58.7 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.053 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -33.41 64.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.642 ' O ' HG23 ' A' ' 50' ' ' VAL . 63.2 t80 -64.62 -51.62 61.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.702 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -28.15 69.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -72.9 -34.17 66.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.86 -37.93 29.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.014 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.0 t -75.51 -44.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -49.62 -43.79 46.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.848 0.356 . . . . 0.0 110.139 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.82 82.06 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.385 -0.912 . . . . 0.0 110.902 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -28.77 46.69 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.056 0.455 . . . . 0.0 110.16 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.478 ' HG2' HG12 ' A' ' 50' ' ' VAL . 35.1 mmt -74.88 -33.26 62.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.69 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.707 ' O ' ' HZ2' ' A' ' 6' ' ' TRP . 5.9 t80 -70.01 -54.66 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.557 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -52.62 -22.92 5.59 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.688 ' HB3' HD22 ' A' ' 67' ' ' LEU . 3.8 t -72.16 -21.68 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.475 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -103.48 129.57 50.67 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.498 ' O ' ' O ' ' A' ' 4' ' ' LYS . 2.4 p-10 -81.02 -3.83 53.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.452 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 10.6 t -152.56 -179.81 7.93 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.656 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.758 ' HG3' HG22 ' A' ' 10' ' ' VAL . 1.3 ttp180 -74.32 -43.67 55.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -54.76 38.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.71 -28.97 67.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.506 ' HA ' HD21 ' A' ' 67' ' ' LEU . 13.9 t80 -70.74 -33.03 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.613 ' CE1' HD21 ' A' ' 18' ' ' LEU . 1.6 m-85 -77.66 -31.58 52.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.37 -51.42 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 57' ' ' SER . 4.3 pp -59.89 -29.31 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.678 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -70.1 -37.66 75.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.95 -43.08 96.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.67 -40.84 84.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -66.04 -55.77 14.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.684 HG23 ' HB2' ' A' ' 25' ' ' ALA . 42.9 mt -64.02 -31.28 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -71.89 -53.39 13.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -45.66 91.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.3 mt -68.4 -30.06 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -43.06 91.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -77.3 -30.64 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.69 -28.8 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.678 HD12 ' HG ' ' B' ' 99' ' ' LEU . 10.7 tp -57.89 -32.22 67.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.81 -31.56 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -70.34 -31.27 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.77 0.319 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.531 HD23 ' C ' ' B' ' 95' ' ' LEU . 8.5 tt -55.66 -35.75 66.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 80.9 p -78.09 -31.67 50.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -34.78 76.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.445 HD23 ' HG2' ' A' ' 39' ' ' ARG . 42.0 mt -75.79 -31.54 59.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.678 ' HG ' HD12 ' A' ' 79' ' ' LEU . 7.7 tp -75.35 -31.93 60.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -60.85 -33.32 72.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -60.69 -40.51 92.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -73.53 -31.84 63.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.31 67.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 20.5 ttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.2 mtmm . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 119.408 -0.329 . . . . 0.0 111.64 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 31.63 45.84 0.17 Allowed Glycine 0 C--N 1.348 1.25 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.738 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.28 -64.67 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.141 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 17.3 t-80 -80.67 -13.81 58.7 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -45.68 9.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.448 ' CD2' ' NH1' ' A' ' 61' ' ' ARG . 1.2 t60 -132.04 23.88 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.687 HG22 ' HG3' ' A' ' 61' ' ' ARG . 56.5 t -105.1 -52.26 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.429 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 3.8 p 54.47 168.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.401 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -37.72 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.08 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.54 -55.99 27.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.17 -31.2 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.881 ' O ' HG23 ' A' ' 19' ' ' VAL . 41.4 ttt180 -65.08 -41.22 95.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -69.78 -31.08 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.94 -30.8 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 68' ' ' LEU . 16.5 mt -79.55 -31.78 42.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 15' ' ' ARG . 44.9 t -59.66 -32.43 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -61.48 -31.67 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.602 ' HB3' HD13 ' A' ' 72' ' ' ILE . 6.4 mmpt? -64.34 -45.46 87.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.765 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -39.63 84.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -72.64 -29.21 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -79.79 -27.18 40.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.899 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.05 -56.97 15.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.258 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.42 ' CD1' HD21 ' A' ' 43' ' ' LEU . 14.9 mt -65.55 -30.45 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CD2' ' OD2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -147.43 84.81 7.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.748 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -74.03 -45.55 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.56 2.173 . . . . 0.0 112.579 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.7 141.5 84.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.98 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.82 152.24 29.46 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.429 2.086 . . . . 0.0 112.279 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.408 ' OD2' ' CD2' ' A' ' 27' ' ' PHE . 12.8 p30 -158.64 75.58 3.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.77 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.45 -27.07 74.54 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.515 2.143 . . . . 0.0 112.058 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.75 -23.12 42.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.03 -36.63 72.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.52 -30.26 62.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.77 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -84.02 -23.68 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.776 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.02 143.34 52.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -30.41 63.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.501 ' NH1' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.62 -32.31 72.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.914 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.533 ' HE3' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -59.68 -30.47 68.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.95 -31.21 64.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.71 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -79.95 -30.36 39.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.77 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.533 HD13 ' HE3' ' A' ' 40' ' ' MET . 0.5 OUTLIER -58.52 -42.95 88.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.39 -58.65 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -36.52 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -61.13 -52.36 65.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.712 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.03 70.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -69.94 -30.85 68.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -76.77 -39.2 52.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.49 -50.83 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' OE1' HG13 ' A' ' 19' ' ' VAL . 13.1 pt-20 -49.29 -44.42 44.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.933 0.397 . . . . 0.0 110.196 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.54 -30.35 76.29 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.299 -0.953 . . . . 0.0 110.883 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.42 -30.34 57.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.924 0.392 . . . . 0.0 110.215 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.469 ' HB3' HD11 ' A' ' 67' ' ' LEU . 5.6 mmt -67.07 -30.82 70.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.786 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.738 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 46.6 t80 -77.83 -22.48 49.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.194 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.35 -26.05 20.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.59 -45.34 45.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 0.0 111.209 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.653 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -73.19 126.91 31.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.605 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.524 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 5.6 m120 -89.72 3.64 52.14 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -160.14 156.74 27.22 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.46 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.687 ' HG3' HG22 ' A' ' 10' ' ' VAL . 8.2 ttp180 -56.51 -39.92 74.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -53.36 -54.81 31.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.993 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.559 ' HG3' HD23 ' A' ' 67' ' ' LEU . 8.5 tp10 -61.94 -38.77 89.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.58 ' HA ' HD21 ' A' ' 67' ' ' LEU . 33.1 t80 -57.86 -37.96 74.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.769 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.454 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -77.74 -29.02 50.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -75.41 -53.25 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.653 HD21 ' HB2' ' A' ' 58' ' ' ALA . 3.4 pp -58.35 -30.48 66.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.987 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -67.12 -46.97 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.893 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.86 89.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.89 -41.71 83.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' O ' HD12 ' A' ' 75' ' ' ILE . 11.4 mmmt -65.07 -55.77 16.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.748 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 25' ' ' ALA . 6.4 mt -63.47 -31.28 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -72.22 -57.18 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -57.9 -47.74 81.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.504 HD12 ' O ' ' A' ' 71' ' ' LYS . 18.7 mt -64.87 -30.31 49.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -66.45 -36.38 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -29.16 52.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -30.13 65.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -37.12 76.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.76 -31.67 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.27 -30.37 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.678 0.275 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 tp -55.62 -35.7 66.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.814 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -31.51 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.82 -38.24 82.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.424 HD22 ' HG ' ' A' ' 43' ' ' LEU . 33.1 mt -75.61 -31.82 60.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.27 -43.75 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.95 -29.87 68.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.411 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 5.5 t80 -58.61 -33.65 70.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.4 m -79.75 -31.69 41.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.27 -47.79 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.32 0.105 . . . . 0.0 111.214 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.84 60.55 2.55 Favored Glycine 0 C--N 1.334 0.467 0 N-CA-C 107.401 -2.279 . . . . 0.0 107.401 175.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.727 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.27 -64.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -175.109 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 64.6 t-80 -76.41 -13.51 60.12 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.275 -177.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.7 -53.14 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.77 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 12.3 m170 -124.54 21.79 8.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.607 HG22 ' HG3' ' A' ' 61' ' ' ARG . 53.4 t -104.81 -53.64 6.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.429 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 1.3 p 52.93 164.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.696 178.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -74.89 -48.59 23.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.7 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.32 -56.28 21.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.812 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.457 HD23 ' C ' ' A' ' 14' ' ' LEU . 7.3 tt -62.58 -29.53 70.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.901 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 19' ' ' VAL . 9.1 ttm180 -64.98 -31.07 72.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.662 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -34.63 73.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -64.38 -38.02 89.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.746 HD22 ' CE2' ' A' ' 64' ' ' TYR . 4.4 mp -71.01 -28.95 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 15' ' ' ARG . 40.6 t -64.09 -27.36 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -72.2 -30.32 64.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -57.56 -43.74 84.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' HA ' HD11 ' A' ' 72' ' ' ILE . 9.5 mt -60.56 -33.12 72.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.761 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -77.28 -28.84 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.124 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -31.99 67.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.839 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -60.26 -58.0 10.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.719 ' HA ' HD12 ' B' ' 99' ' ' LEU . 12.3 mt -67.11 -39.59 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CZ ' ' CB ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -134.64 77.48 58.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.93 -47.56 0.57 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.55 2.167 . . . . 0.0 112.445 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.34 149.9 97.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.003 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.02 146.6 71.57 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.704 2.27 . . . . 0.0 112.278 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.438 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 7.3 t70 -167.57 90.21 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.791 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.49 -22.7 75.17 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.064 . . . . 0.0 112.141 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.52 -25.78 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.99 95.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 mt -57.95 -26.45 62.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.647 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.21 -22.79 20.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.16 137.08 57.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.873 0.368 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -44.35 96.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.585 ' NH1' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -55.99 -28.99 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.145 -179.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.49 ' SD ' HD13 ' A' ' 43' ' ' LEU . 5.0 tpp -59.41 -25.44 64.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.85 -29.63 63.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -79.89 -31.23 40.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.585 HD12 ' NH1' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -59.92 -41.68 92.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 t -63.07 -58.75 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.8 69.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.807 ' OH ' HD13 ' B' ' 95' ' ' LEU . 28.4 t80 -62.29 -51.4 67.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.773 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.98 -32.22 73.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.039 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -62.44 -31.09 71.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -74.99 -43.31 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.36 -52.44 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -49.94 -43.65 50.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.937 0.398 . . . . 0.0 110.138 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.16 -30.92 79.08 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.0 -28.69 49.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 0.0 110.287 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 35.5 mmt -67.3 -32.49 73.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.801 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.727 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 45.1 t80 -77.63 -22.98 49.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.229 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.56 -32.67 16.2 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.196 -0.315 . . . . 0.0 111.553 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.401 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -67.25 -50.34 60.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.324 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.535 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -72.57 129.47 38.36 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.909 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.485 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.2 m-20 -96.38 4.83 51.95 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.5 t -152.14 161.4 42.69 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.607 ' HG3' HG22 ' A' ' 10' ' ' VAL . 12.2 ttp180 -59.97 -51.14 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -51.94 -50.19 61.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -61.33 -37.85 84.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.746 ' CE2' HD22 ' A' ' 18' ' ' LEU . 26.1 t80 -60.6 -42.89 97.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.704 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.552 ' CE2' HD11 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.73 -28.54 50.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.122 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.84 -57.09 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.367 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.897 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -53.63 -27.65 28.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.214 -179.659 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.897 ' N ' HD23 ' A' ' 67' ' ' LEU . 3.6 tt -72.6 -31.87 65.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.839 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.97 85.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -38.84 79.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' HD12 ' A' ' 75' ' ' ILE . 4.2 mtpp -68.58 -55.8 10.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.769 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.839 HG23 ' HB2' ' A' ' 25' ' ' ALA . 27.5 mm -63.64 -31.67 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -66.42 -55.13 17.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.658 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -61.73 -44.64 96.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.1 mt -68.8 -31.08 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -59.68 -42.45 92.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -77.49 -28.14 52.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.82 -27.92 63.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.57 HD21 ' HA ' ' B' ' 103' ' ' ALA . 1.2 tt -56.55 -31.36 64.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.066 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.56 -29.09 70.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -82.49 -26.84 32.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CG ' HD23 ' B' ' 99' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.997 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.77 0.319 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.807 HD13 ' OH ' ' A' ' 46' ' ' TYR . 19.2 tp -55.62 -36.38 66.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.824 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 10.5 m -78.0 -31.24 50.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -66.41 -52.89 41.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.5 ' HB3' HG21 ' A' ' 26' ' ' ILE . 9.2 mt -60.03 -36.4 77.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 26' ' ' ILE . 1.1 tp -71.27 -30.95 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.84 -31.83 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.412 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 8.5 t80 -59.66 -46.11 90.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -83.26 -37.25 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . 0.57 ' HA ' HD21 ' A' ' 79' ' ' LEU . . . -61.45 -37.08 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.6 ttp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 120.359 0.123 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.89 64.77 1.9 Allowed Glycine 0 C--N 1.333 0.382 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 175.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.67 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.95 -65.22 1.04 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -174.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -61.67 -12.76 17.78 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.757 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 1.3 pt-20 -43.73 -50.64 7.59 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -134.39 36.17 3.19 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.67 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -114.98 -42.71 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 10' ' ' VAL . 2.4 p 48.61 175.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.848 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -75.01 -48.51 23.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.828 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.52 -56.46 5.34 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' ' 10' ' ' VAL . 8.1 tt -53.63 -29.57 38.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.106 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -65.42 -31.83 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.717 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -31.72 71.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -61.3 -30.95 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.52 HD21 ' CE2' ' A' ' 65' ' ' TYR . 4.8 mp -78.87 -31.31 45.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.71 -34.61 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -62.33 -27.5 69.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -56.46 -44.53 80.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 26' ' ' ILE . 36.5 mt -60.34 -41.41 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.709 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.19 -29.72 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -78.44 -26.84 46.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' HB2' HG12 ' A' ' 72' ' ' ILE . . . -57.07 -61.5 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.165 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.703 HD13 HD21 ' A' ' 43' ' ' LEU . 3.7 mp -66.15 -30.76 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.41 82.84 13.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.45 -63.16 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.6 2.2 . . . . 0.0 112.346 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 p -66.97 149.31 98.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.75 146.68 48.96 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.538 2.159 . . . . 0.0 112.258 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -154.61 85.68 3.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HA ' HD23 ' A' ' 35' ' ' LEU . 17.8 Cg_endo -59.82 -18.73 50.67 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.601 2.201 . . . . 0.0 112.271 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.84 -28.01 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.733 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.631 ' HB1' ' NH2' ' A' ' 39' ' ' ARG . . . -72.08 -26.02 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.012 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 32' ' ' PRO . 2.9 mm? -55.92 -35.96 67.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -83.37 -29.56 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.84 142.86 39.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -26.52 65.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.654 ' HD2' HD22 ' B' ' 98' ' ' LEU . 5.4 tmm_? -53.99 -48.05 70.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.679 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -57.14 -29.32 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.76 -42.44 75.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.599 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -79.96 -32.33 39.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.78 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.703 HD21 HD13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -60.53 -44.77 95.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 40' ' ' MET . 32.6 t -60.1 -59.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.04 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.62 ' O ' HG23 ' A' ' 50' ' ' VAL . 74.3 t80 -70.25 -53.99 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.802 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.86 -28.24 69.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -71.31 -35.7 71.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -80.8 -38.06 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 46' ' ' TYR . 21.9 t -75.55 -44.87 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.407 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -49.05 -43.16 40.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.902 0.382 . . . . 0.0 110.361 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.98 -32.29 83.72 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.38 -0.914 . . . . 0.0 110.912 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -78.52 -28.16 46.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.009 0.433 . . . . 0.0 110.322 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.408 ' HB3' HD12 ' A' ' 68' ' ' LEU . 27.5 mmt -71.82 -46.18 59.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.963 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.563 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -60.33 -54.41 46.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.04 -40.62 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.89 -28.67 2.77 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.962 0.41 . . . . 0.0 111.272 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.517 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -92.91 133.75 35.79 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.696 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.476 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.6 m120 -95.44 0.08 52.94 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 m -150.03 175.91 11.27 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.661 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.617 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.26 -50.38 19.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.2 -45.96 75.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.68 -40.98 94.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.482 ' CE2' HD22 ' A' ' 18' ' ' LEU . 9.8 t80 -59.74 -32.63 70.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.52 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -73.98 -55.48 6.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -65.82 -44.91 84.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.536 HD23 ' C ' ' A' ' 67' ' ' LEU . 8.2 tt -60.72 -55.33 34.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.441 HD21 HD11 ' A' ' 72' ' ' ILE . 5.6 tt -57.09 -28.57 62.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.25 68.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.154 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.26 -43.57 83.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.65 ' HE3' HD11 ' A' ' 75' ' ' ILE . 4.4 mmmt -61.8 -55.86 25.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.687 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.441 HD11 HD21 ' A' ' 68' ' ' LEU . 5.0 mt -60.8 -32.12 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.792 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -75.13 -43.36 53.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.811 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -72.18 -45.86 58.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.65 HD11 ' HE3' ' A' ' 71' ' ' LYS . 9.2 mt -64.97 -31.78 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.94 -47.28 86.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -70.07 -29.37 66.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.985 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.47 -24.98 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.623 ' HA ' HD23 ' B' ' 99' ' ' LEU . 7.0 mt -55.65 -27.58 50.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -33.21 75.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -62.85 -27.1 69.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.075 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.72 0.295 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.422 ' O ' HD12 ' B' ' 99' ' ' LEU . 63.7 tp -55.06 -31.62 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.08 -31.36 50.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.8 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -65.22 -34.23 77.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.654 HD22 ' HD2' ' A' ' 39' ' ' ARG . 24.0 mt -69.96 -30.84 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' A' ' 79' ' ' LEU . 1.8 mp -71.76 -34.01 69.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.65 -32.04 64.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.427 ' CG ' ' NH1' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -59.91 -57.46 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -30.68 68.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.46 -30.45 66.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 1.6 ttm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.521 ' HD3' ' CD1' ' A' ' 6' ' ' TRP . 0.9 OUTLIER . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 111.429 0.159 . . . . 0.0 111.429 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.21 64.64 2.03 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 106.966 -2.454 . . . . 0.0 106.966 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.681 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.62 -64.53 1.14 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -174.67 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.416 ' CE1' ' OH ' ' A' ' 55' ' ' TYR . 2.1 m-70 -63.28 -13.01 33.58 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.778 -1.101 . . . . 0.0 113.664 -176.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -43.78 -49.66 8.01 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.99 39.26 3.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.688 HG11 ' HE2' ' A' ' 55' ' ' TYR . 3.9 t -103.19 -62.89 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.97 0.414 . . . . 0.0 109.946 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p 56.26 168.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.124 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -74.42 -38.25 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.5 -56.04 24.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -37.72 79.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.898 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -62.23 -50.12 73.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -64.55 -29.51 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.015 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -73.59 -30.59 63.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.457 HD22 HD22 ' A' ' 68' ' ' LEU . 17.5 mt -81.42 -33.11 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.056 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 15' ' ' ARG . 24.2 t -59.08 -29.29 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -71.86 -30.05 65.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -59.15 -46.71 87.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.3 mp -60.11 -32.28 70.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.67 -30.79 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -25.12 54.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.921 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -56.74 -61.2 2.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.288 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.637 ' HB ' HD21 ' A' ' 43' ' ' LEU . 5.8 mt -61.78 -32.12 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.213 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.543 ' HE1' HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -143.42 84.96 9.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.73 -46.56 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.561 2.174 . . . . 0.0 112.402 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.543 HG23 ' HE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -73.97 149.8 87.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.62 147.12 93.02 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.626 2.218 . . . . 0.0 112.262 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -153.83 78.47 5.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.48 -21.25 53.16 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.629 2.219 . . . . 0.0 112.204 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.18 -23.38 43.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.497 ' HB1' ' HE2' ' A' ' 40' ' ' MET . . . -69.03 -28.66 66.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.181 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.88 -36.03 71.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -82.45 -25.68 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.05 140.58 54.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.13 -25.57 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' NH2' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -56.39 -39.54 73.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.998 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.506 ' SD ' HD13 ' A' ' 43' ' ' LEU . 50.7 tpp -57.98 -29.12 64.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.79 -30.49 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.832 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -79.93 -29.9 39.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.637 HD21 ' HB ' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -57.83 -48.15 80.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.3 t -59.68 -59.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.047 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.48 80.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.798 ' OH ' HD13 ' B' ' 95' ' ' LEU . 23.5 t80 -61.25 -55.37 32.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.739 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.53 72.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -33.53 75.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -71.94 -43.91 64.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.779 HG12 ' SD ' ' A' ' 54' ' ' MET . 25.9 t -68.86 -55.09 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -44.13 54.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.399 . . . . 0.0 109.97 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.32 -31.18 78.38 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.25 -29.08 62.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.916 0.389 . . . . 0.0 110.071 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.779 ' SD ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -67.07 -34.26 77.29 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.692 179.776 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.688 ' HE2' HG11 ' A' ' 10' ' ' VAL . 37.5 t80 -76.26 -23.24 54.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.8 -35.04 15.06 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.923 0.392 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.733 ' OG ' HD11 ' A' ' 67' ' ' LEU . 2.2 p -67.59 -52.46 38.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.682 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.513 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -66.76 127.12 31.26 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.271 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 1.5 m-20 -94.12 4.9 53.25 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.3 p -153.49 165.23 36.49 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.489 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -65.71 -44.1 87.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -57.36 -53.39 58.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.681 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.14 -38.35 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.429 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.592 ' HA ' HD22 ' A' ' 67' ' ' LEU . 31.2 t80 -60.84 -39.16 88.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.613 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.447 ' CD1' ' NH1' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -77.89 -32.02 51.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.221 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -80.82 -57.12 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.412 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.867 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -59.09 -27.86 65.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.044 -179.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.867 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.6 tt -71.35 -31.3 67.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.809 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.91 -35.32 72.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.42 -41.21 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.492 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -64.43 -55.73 18.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.628 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.921 HG23 ' HB2' ' A' ' 25' ' ' ALA . 5.1 mt -62.67 -31.05 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.791 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -75.2 -51.84 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.718 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.97 -42.98 95.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.2 mt -71.05 -29.88 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -49.13 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -77.53 -29.9 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -60.07 -29.71 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.989 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.688 ' HA ' HD22 ' B' ' 99' ' ' LEU . 9.5 tt -57.66 -30.65 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.73 -31.65 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -68.31 -30.87 69.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.708 0.29 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.798 HD13 ' OH ' ' A' ' 46' ' ' TYR . 6.7 tp -55.5 -37.81 68.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.783 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 4.9 m -77.99 -30.95 50.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -75.45 -31.64 60.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 mp -79.94 -42.08 24.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.688 HD22 ' HA ' ' A' ' 79' ' ' LEU . 10.9 mt -60.25 -34.01 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -51.66 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.14 -37.49 80.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -69.07 -39.12 79.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.04 63.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.278 0.085 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.8 63.67 1.94 Allowed Glycine 0 C--N 1.334 0.427 0 N-CA-C 107.171 -2.372 . . . . 0.0 107.171 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.558 ' HZ3' HG11 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.81 -64.96 1.07 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -174.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.628 ' HA ' HG23 ' A' ' 10' ' ' VAL . 6.5 t60 -62.42 -13.15 26.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.47 -176.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.36 -51.39 8.57 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -177.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.463 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -133.12 40.21 3.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -111.21 -51.59 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 177.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p 51.62 176.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.33 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -74.63 -44.37 50.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -58.72 -56.22 24.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.623 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -42.08 97.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.019 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.726 ' O ' HG23 ' A' ' 19' ' ' VAL . 6.9 tmm_? -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 t -78.28 -34.41 48.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -47.36 86.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.915 HD13 ' CE2' ' A' ' 64' ' ' TYR . 1.4 mt -60.55 -35.05 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 15' ' ' ARG . 46.7 t -58.65 -29.86 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -73.11 -28.52 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HD3' HD23 ' A' ' 18' ' ' LEU . 11.9 mtpt -57.72 -44.64 86.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.409 HD21 ' HG3' ' A' ' 54' ' ' MET . 2.0 mp -60.66 -32.36 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.7 t -73.0 -29.46 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.17 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -79.63 -30.36 41.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.728 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -57.26 -47.37 81.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.99 HD12 HD21 ' A' ' 43' ' ' LEU . 30.5 mt -74.01 -44.61 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.05 77.29 76.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.3 -62.46 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.606 2.204 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 79.8 p -68.91 154.76 94.59 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.38 154.7 45.84 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.71 92.03 1.41 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.69 -25.65 75.14 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.408 2.072 . . . . 0.0 112.176 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.75 -25.77 40.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.998 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.23 60.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.82 -31.04 68.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.71 -24.61 25.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.73 148.54 33.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -27.43 69.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.707 ' CD ' HD23 ' B' ' 98' ' ' LEU . 2.2 tmm_? -56.1 -46.24 79.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.013 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.421 ' CE ' HD13 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -54.45 -29.09 48.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -56.82 -39.1 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -79.88 -29.85 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.864 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.99 HD21 HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -58.17 -49.48 76.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.59 -59.15 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.1 82.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.704 ' O ' HG23 ' A' ' 50' ' ' VAL . 57.9 t80 -61.64 -52.95 62.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.57 -28.2 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -66.29 -36.48 83.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -80.72 -35.64 33.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.995 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 46' ' ' TYR . 23.5 t -75.52 -46.59 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.202 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' CD ' HG13 ' A' ' 19' ' ' VAL . 12.5 pt-20 -49.55 -46.31 48.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.288 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.02 -31.25 80.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.419 -0.896 . . . . 0.0 110.987 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -78.41 -28.81 46.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.95 0.405 . . . . 0.0 110.32 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.409 ' HG3' HD21 ' A' ' 22' ' ' LEU . 29.9 mmt -68.75 -41.12 79.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.53 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -64.65 -54.29 34.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.22 -40.47 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.28 -29.2 2.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.923 0.392 . . . . 0.0 111.354 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 64' ' ' TYR . . . -92.95 133.82 35.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.634 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 3.3 m-20 -95.6 0.33 52.73 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 176.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -151.16 173.89 13.88 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HG2' ' HB3' ' A' ' 9' ' ' HIS . 4.6 tpt180 -70.34 -55.94 7.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.788 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -50.05 -49.77 50.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.248 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -58.98 -40.78 85.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.915 ' CE2' HD13 ' A' ' 18' ' ' LEU . 9.7 t80 -58.66 -30.91 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.77 -55.55 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.943 -179.829 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -65.75 -30.84 71.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -74.68 -53.32 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.518 ' CD2' HD11 ' A' ' 72' ' ' ILE . 7.4 tt -57.67 -29.76 64.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.3 -30.44 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.06 -40.4 80.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.664 ' HE3' HD11 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -64.85 -55.85 16.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.728 HG23 ' HB2' ' A' ' 25' ' ' ALA . 5.7 mt -61.23 -32.33 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.805 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -75.07 -37.72 61.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.718 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -77.15 -46.34 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.664 HD11 ' HE3' ' A' ' 71' ' ' LYS . 7.8 mt -62.19 -44.17 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -60.23 -31.47 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.83 -31.48 68.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -67.99 -30.82 70.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.49 -30.69 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.18 -31.51 72.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.14 -42.36 62.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 mttm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.734 0.302 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.563 HD12 ' N ' ' B' ' 96' ' ' SER . 3.8 pp -55.23 -31.81 61.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . 0.563 ' N ' HD12 ' B' ' 95' ' ' LEU . 0.8 OUTLIER -77.99 -33.08 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.3 -32.1 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.707 HD23 ' CD ' ' A' ' 39' ' ' ARG . 1.2 mt -67.57 -29.62 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.48 -31.38 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -61.39 -53.69 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.59 -30.16 66.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -77.06 -37.2 55.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.99 -32.37 34.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.571 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.1 mtmm . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 119.432 -0.318 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 30.31 47.37 0.13 Allowed Glycine 0 C--N 1.347 1.17 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.607 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -81.34 -64.42 1.19 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -175.202 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.95 -12.24 60.88 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -53.32 5.75 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.412 ' HB3' ' NE ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -137.93 33.57 2.4 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -178.112 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.893 HG22 ' HG2' ' A' ' 61' ' ' ARG . 9.7 t -100.46 -62.57 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.859 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p 55.55 168.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.148 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -74.47 -37.99 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.146 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.23 -56.18 18.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.218 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -61.68 -35.05 76.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.83 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.909 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.4 ttt180 -70.55 -36.32 73.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 p -59.72 -32.69 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -72.98 -34.19 66.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.85 HD22 ' CE2' ' A' ' 64' ' ' TYR . 4.0 mp -76.88 -31.27 56.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 15' ' ' ARG . 26.5 t -61.64 -32.9 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -28.36 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.491 ' HB3' HD13 ' A' ' 72' ' ' ILE . 23.8 mttt -57.63 -45.5 85.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.561 ' CD1' HD11 ' A' ' 68' ' ' LEU . 2.9 mp -60.18 -32.02 70.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.24 -30.46 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -80.74 -35.24 33.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.888 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.16 -42.86 86.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.535 ' CD1' HD21 ' A' ' 43' ' ' LEU . 30.8 mt -74.5 -47.8 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.409 ' CE2' ' OD2' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -128.69 71.88 81.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.93 -62.42 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.599 2.2 . . . . 0.0 112.391 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.1 p -59.69 154.35 46.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.95 153.35 68.15 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.634 2.222 . . . . 0.0 112.313 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' CE2' ' A' ' 27' ' ' PHE . 9.5 p30 -153.57 85.43 4.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.59 -27.12 84.28 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.462 2.108 . . . . 0.0 112.07 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.66 -24.97 41.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.91 89.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.41 -29.01 61.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -89.09 -24.89 22.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.42 138.19 57.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -73.16 -30.87 63.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.596 ' NH1' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.84 -35.27 76.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 tpp -60.52 -28.6 68.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.65 -31.43 64.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -79.89 -30.53 40.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.596 HD12 ' NH1' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -58.45 -42.41 87.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.67 -59.1 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.55 73.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.755 ' OH ' HD12 ' B' ' 95' ' ' LEU . 15.9 t80 -60.53 -46.89 88.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.21 63.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -69.95 -32.97 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.088 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -80.77 -39.16 27.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.9 t -75.49 -44.64 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.378 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -49.35 -43.6 43.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.84 0.353 . . . . 0.0 110.227 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.74 -32.52 84.45 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.47 -30.03 47.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.99 0.424 . . . . 0.0 110.14 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.503 ' HG2' HG12 ' A' ' 50' ' ' VAL . 29.1 mmt -74.58 -31.61 62.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.779 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 2.1 t80 -72.48 -54.68 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.613 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.27 -24.62 63.4 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.3 -23.23 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.654 0.264 . . . . 0.0 111.65 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' CE2' ' A' ' 6' ' ' TRP . . . -97.33 127.17 43.06 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.518 ' O ' ' O ' ' A' ' 4' ' ' LYS . 3.3 p-10 -81.88 -4.11 55.74 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.456 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 9.0 m -145.45 176.49 9.55 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.893 ' HG2' HG22 ' A' ' 10' ' ' VAL . 4.8 tmm_? -74.29 -54.61 7.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.998 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.18 -43.1 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.124 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.06 -38.81 77.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.85 ' CE2' HD22 ' A' ' 18' ' ' LEU . 22.4 t80 -63.41 -30.45 71.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.753 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -49.05 24.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -74.42 -32.45 62.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -70.51 -53.32 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.586 HD22 HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -57.49 -35.83 70.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.026 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -30.25 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.21 -46.42 90.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.437 ' O ' HG12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -62.35 -56.6 16.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.907 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.888 HG23 ' HB2' ' A' ' 25' ' ' ALA . 4.2 mt -58.91 -28.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.158 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.61 -44.55 42.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.797 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.557 ' HD2' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -79.16 -40.09 31.81 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -178.569 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.783 HG13 ' HB1' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -74.53 -29.58 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.051 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.429 ' NE2' HG22 ' A' ' 72' ' ' ILE . 7.0 mt-30 -59.88 -57.97 10.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.393 . . . . 0.0 110.722 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -59.91 -28.85 67.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.14 -29.55 65.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.002 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -58.7 -38.71 78.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.35 -40.42 95.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.49 -31.12 69.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.768 0.318 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.755 HD12 ' OH ' ' A' ' 46' ' ' TYR . 8.6 tt -55.4 -36.68 66.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.839 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.9 p -78.05 -31.26 50.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -69.63 -32.16 70.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.557 HD22 ' HG ' ' A' ' 43' ' ' LEU . 82.6 mt -71.2 -37.48 72.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.9 mp -78.65 -39.88 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.79 -30.84 69.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.417 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 11.6 t80 -59.04 -53.25 60.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -62.33 -32.32 73.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.04 -31.69 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 26.3 mmm . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 m -123.49 179.42 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.337 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -171.78 159.11 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.461 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER -54.29 159.37 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.79 64.1 1.9 Allowed Glycine 0 C--N 1.334 0.457 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 175.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.521 ' CZ3' ' CZ ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.59 -64.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -174.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.613 ' HA ' HG23 ' A' ' 10' ' ' VAL . 7.7 t-80 -62.13 -13.01 22.74 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.097 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 1.1 pp20? -44.02 -53.2 6.49 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -130.09 26.94 5.16 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.613 HG23 ' HA ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -96.02 -42.46 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 12' ' ' GLN . 10.4 m 51.71 166.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.834 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.428 ' N ' HG22 ' A' ' 11' ' ' THR . 1.6 tt0 -74.55 -52.52 11.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.26 -53.7 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.305 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.05 -29.79 32.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.229 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 19' ' ' VAL . 23.3 ttm180 -71.64 -35.11 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.788 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 m -62.27 -31.43 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -64.77 -35.49 81.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 68' ' ' LEU . 10.6 mp -73.38 -34.25 65.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 15' ' ' ARG . 31.6 t -59.79 -38.88 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -61.08 -36.24 79.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' HB3' HD13 ' A' ' 72' ' ' ILE . 9.1 mmtm -59.84 -33.01 71.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.74 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -36.89 74.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.709 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.2 t -77.36 -30.96 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -65.87 -30.36 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.679 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.44 -47.72 83.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.728 HD12 HD21 ' A' ' 43' ' ' LEU . 31.1 mt -73.52 -31.15 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.7 82.38 10.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.27 -46.45 1.42 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.59 2.194 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.56 148.82 85.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.94 146.43 52.85 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.647 2.231 . . . . 0.0 112.295 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.26 91.15 3.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.49 -25.66 75.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.367 2.044 . . . . 0.0 112.151 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.71 -26.54 40.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.063 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -33.56 76.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.21 -31.45 67.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -85.3 -24.29 27.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.17 136.57 57.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.59 -29.02 70.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.803 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -58.71 -41.09 85.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -30.03 64.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.21 -35.16 69.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.749 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -79.9 -29.93 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.865 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.803 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -58.04 -48.41 80.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 t -62.08 -58.87 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.41 73.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.474 ' OH ' HD13 ' B' ' 95' ' ' LEU . 64.6 t80 -60.9 -54.16 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.75 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -68.39 -31.31 70.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -80.78 -41.76 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.475 HG12 ' SD ' ' A' ' 54' ' ' MET . 20.3 t -75.47 -43.65 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.207 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.28 -42.47 52.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 110.078 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.07 -31.97 82.62 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -78.48 -29.34 46.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.008 0.433 . . . . 0.0 110.13 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.475 ' SD ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -77.02 -41.11 43.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.521 ' CZ ' ' CZ3' ' A' ' 6' ' ' TRP . 7.5 t80 -62.82 -54.24 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.772 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.83 -39.3 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.478 ' HB3' HD22 ' A' ' 67' ' ' LEU . 18.5 t -47.61 -28.62 2.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.893 0.378 . . . . 0.0 111.332 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.546 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -93.55 134.46 35.81 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.714 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 8.1 p-10 -96.27 0.08 50.42 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 176.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.0 154.66 34.14 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.368 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.521 ' HG2' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -57.32 -28.35 63.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.084 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.84 -54.66 20.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -59.68 -31.49 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.561 ' HA ' HD21 ' A' ' 67' ' ' LEU . 13.4 t80 -67.81 -30.73 70.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -28.23 50.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -78.33 -53.86 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.029 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.561 HD21 ' HA ' ' A' ' 64' ' ' TYR . 3.7 pp -57.09 -30.57 64.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.75 ' CD2' HD11 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -63.65 -38.73 92.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.91 92.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -58.77 -46.99 86.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -60.48 -55.8 29.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 68' ' ' LEU . 17.2 mt -63.73 -31.42 52.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -68.43 -56.88 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.749 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -57.39 -44.26 84.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.093 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.6 mt -68.88 -32.65 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.075 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -48.43 81.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -77.14 -29.98 54.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.87 -30.2 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.592 ' HG ' HD23 ' B' ' 99' ' ' LEU . 6.4 mt -59.14 -31.28 68.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -41.85 91.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.99 -31.64 71.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -67.63 -31.33 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -38.58 82.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -80.04 -3.37 48.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.1 t -64.96 -10.1 26.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.692 0.282 . . . . 0.0 110.341 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.98 -13.78 0.72 Allowed 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.298 0.571 . . . . 0.0 112.062 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 C--N 1.31 -1.143 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.916 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 95.9 p -131.92 178.61 6.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.49 -141.9 3.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.542 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 43.4 p -78.12 140.88 39.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -99.08 122.51 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -98.74 -49.89 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.68 -28.4 69.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.474 HD13 ' OH ' ' A' ' 46' ' ' TYR . 29.2 tp -55.92 -35.36 66.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.796 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.8 m -78.07 -31.32 50.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.791 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.25 -31.2 60.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 43' ' ' LEU . 42.1 mt -68.0 -45.1 75.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.592 HD23 ' HG ' ' A' ' 79' ' ' LEU . 3.5 mp -68.65 -33.54 74.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -59.34 -32.48 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -64.06 -48.91 74.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -74.94 -31.64 61.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.52 -32.1 72.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -68.18 -50.91 51.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -94.41 -178.17 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.848 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 m -148.86 174.22 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -147.76 144.09 28.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -53.04 162.48 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.328 179.709 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.13 61.25 2.65 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 107.215 -2.354 . . . . 0.0 107.215 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.747 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.52 -64.11 1.25 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -175.038 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.424 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 3.2 t-80 -74.74 -13.72 60.64 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.468 -177.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.94 -53.32 7.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -120.56 22.24 11.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.504 HG21 ' CZ3' ' A' ' 6' ' ' TRP . 98.3 t -107.21 -52.94 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.424 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 2.9 p 53.33 170.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.542 178.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -74.62 -46.6 37.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.238 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.15 -56.18 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.375 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -30.48 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.998 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.642 ' O ' HG23 ' A' ' 19' ' ' VAL . 42.2 ttt-85 -64.69 -45.79 85.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -30.94 69.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -31.14 67.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.823 HD21 ' CE1' ' A' ' 65' ' ' TYR . 8.1 mt -79.42 -31.53 42.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.656 HG13 ' OE1' ' A' ' 51' ' ' GLU . 46.3 t -58.89 -30.39 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.034 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -73.24 -29.2 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HG3' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.51 -43.19 89.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.806 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 51' ' ' GLU . 22.2 mt -62.4 -31.74 72.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.735 HG13 HD22 ' A' ' 43' ' ' LEU . 25.4 t -73.87 -28.8 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.043 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -73.37 -28.82 62.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.899 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.85 -66.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.192 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 22' ' ' LEU . 2.6 mp -62.28 -31.76 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -139.0 83.07 18.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HG2' HD22 ' A' ' 79' ' ' LEU . 31.7 Cg_exo -58.67 -63.79 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.3 p -59.96 141.39 89.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -77.61 167.27 24.43 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.64 2.227 . . . . 0.0 112.3 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' OD2' ' HB2' ' A' ' 34' ' ' ALA . 35.4 t0 -177.64 110.93 0.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.779 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.55 -27.03 46.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.428 2.085 . . . . 0.0 112.202 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.57 -29.18 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . . . -58.96 -30.04 67.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.51 -33.75 70.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.82 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -84.56 -24.24 29.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.31 157.31 11.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.17 -31.55 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.497 ' NE ' HD12 ' A' ' 43' ' ' LEU . 5.4 tmm_? -57.78 -51.81 68.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 tpt -57.96 -30.32 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -57.22 -39.25 75.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.65 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -79.94 -29.07 39.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.91 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.735 HD22 HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.74 -43.43 90.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.685 HG12 ' HD3' ' A' ' 48' ' ' LYS . 23.0 t -61.15 -59.64 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.83 -41.09 81.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.615 ' O ' HG23 ' A' ' 50' ' ' VAL . 15.3 t80 -60.44 -46.96 88.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.21 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.234 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.685 ' HD3' HG12 ' A' ' 44' ' ' VAL . 15.4 mtpt -68.03 -35.37 78.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -76.2 -36.82 58.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.1 t -75.49 -51.49 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.216 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.656 ' OE1' HG13 ' A' ' 19' ' ' VAL . 12.9 pt-20 -49.34 -46.97 47.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.917 0.389 . . . . 0.0 110.289 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.5 77.53 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.452 -0.88 . . . . 0.0 110.961 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.34 -28.99 47.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.948 0.404 . . . . 0.0 110.309 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 35.7 mmt -66.92 -45.69 77.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.747 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 43.8 t80 -60.81 -22.68 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.198 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.65 -30.68 17.0 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.133 -0.355 . . . . 0.0 111.694 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.585 ' HB3' HD11 ' A' ' 67' ' ' LEU . 33.3 t -67.36 -48.65 66.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.981 0.419 . . . . 0.0 110.561 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.524 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -75.32 131.08 40.04 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.117 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.474 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.3 p-10 -99.4 6.48 46.04 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 176.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.83 170.98 17.51 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.339 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.451 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -69.0 -60.36 2.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.8 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.27 -45.73 45.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.703 ' O ' HD23 ' A' ' 67' ' ' LEU . 4.4 tt0 -59.19 -49.5 77.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.274 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.446 ' HA ' ' HB2' ' A' ' 58' ' ' ALA . 25.4 t80 -48.99 -42.98 39.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.773 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.823 ' CE1' HD21 ' A' ' 18' ' ' LEU . 1.1 m-85 -77.94 -25.65 48.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.176 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -74.41 -57.34 4.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.845 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 63' ' ' GLU . 0.9 OUTLIER -68.75 -32.99 73.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.727 0.298 . . . . 0.0 111.097 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 68' ' ' LEU . 10.4 tt -69.34 -31.46 69.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.806 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.74 -35.68 51.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -57.17 -45.39 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 75' ' ' ILE . 6.5 mtpp -60.02 -54.03 50.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 25' ' ' ALA . 30.1 mm -64.55 -31.38 53.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -70.29 -44.66 67.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.793 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -45.39 64.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.005 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 71' ' ' LYS . 10.4 mt -66.45 -32.82 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -64.27 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -29.48 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.47 -24.76 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.488 ' HA ' HD21 ' B' ' 99' ' ' LEU . 35.7 tp -55.49 -39.14 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.271 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -31.06 68.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.961 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.45 -31.28 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.65 ' HG3' HD23 ' B' ' 99' ' ' LEU . 2.4 mmtt -77.28 -28.7 53.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -75.45 -32.36 60.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.32 -3.36 59.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.433 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.7 p -64.16 -11.35 29.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.687 ' C ' HD23 ' A' ' 87' ' ' LEU . 8.0 mpt_? -140.72 -14.11 0.95 Allowed 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.36 0.6 . . . . 0.0 111.926 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.687 HD23 ' C ' ' A' ' 86' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.312 -1.053 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.28 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -106.16 -39.61 5.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.61 158.91 7.81 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.87 -66.97 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.95 163.66 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -140.38 -48.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.62 -28.87 63.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.51 -36.24 66.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -31.54 50.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.812 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.12 -44.64 72.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.427 HD23 ' CD ' ' A' ' 39' ' ' ARG . 2.1 mp -60.76 -44.48 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.65 HD23 ' HG3' ' A' ' 82' ' ' LYS . 2.5 tp -59.55 -31.11 69.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -61.47 -42.43 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.59 -30.99 69.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -80.42 -43.52 20.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.22 -30.15 70.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 7.5 ttp -58.85 -49.43 77.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -106.72 179.61 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.944 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.5 m -140.54 174.13 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -152.05 143.51 23.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -50.71 160.06 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.334 179.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.5 62.63 2.29 Favored Glycine 0 C--N 1.334 0.466 0 N-CA-C 107.253 -2.339 . . . . 0.0 107.253 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.72 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.4 -64.16 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -174.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 20.5 t60 -77.42 -14.35 59.72 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.654 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -47.6 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 9' ' ' HIS . 8.9 t60 -125.9 22.47 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' A' ' 61' ' ' ARG . 74.7 t -106.52 -51.42 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.444 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 3.2 p 53.1 170.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.502 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -74.62 -40.33 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.213 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.91 -56.13 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.446 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -31.05 67.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.938 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.686 ' O ' HG23 ' A' ' 19' ' ' VAL . 9.1 ttt180 -64.6 -47.39 78.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -30.59 68.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -71.86 -30.77 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.583 HD21 ' CZ ' ' A' ' 65' ' ' TYR . 11.8 mt -80.16 -30.45 38.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 15' ' ' ARG . 32.8 t -62.2 -30.77 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -32.1 69.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -59.33 -43.9 92.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -32.15 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -74.81 -29.66 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -29.37 63.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -56.25 -58.2 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.608 ' HB ' HD21 ' A' ' 43' ' ' LEU . 33.1 mt -71.4 -31.02 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.413 ' CE2' ' CD1' ' B' ' 101' ' ' PHE . 0.1 OUTLIER -137.04 83.61 27.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.98 -46.25 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.575 2.183 . . . . 0.0 112.434 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.76 149.86 81.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.12 153.44 67.29 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -161.28 87.59 1.64 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.743 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.98 -26.91 83.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.496 2.131 . . . . 0.0 112.1 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.69 -24.9 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.048 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 31' ' ' ASP . . . -61.8 -31.18 71.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.21 -31.8 69.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.749 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.34 -25.15 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.28 137.68 58.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.957 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -31.24 71.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.67 ' HD2' HD23 ' B' ' 98' ' ' LEU . 0.1 OUTLIER -60.18 -36.86 78.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.649 ' CE ' HD13 ' A' ' 43' ' ' LEU . 2.3 tpt -58.33 -29.41 65.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -34.64 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.728 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -79.93 -30.82 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.808 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.649 HD13 ' CE ' ' A' ' 40' ' ' MET . 0.4 OUTLIER -58.67 -42.74 89.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 t -67.13 -58.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.95 -34.9 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -65.79 -51.02 62.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.23 -31.19 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -64.39 -30.84 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -37.91 57.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.66 -51.93 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.62 -49.12 48.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.892 0.377 . . . . 0.0 110.287 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.84 -29.36 72.11 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.047 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.33 -29.58 47.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.028 0.442 . . . . 0.0 110.227 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.3 mmt -64.44 -38.34 90.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.761 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.72 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 46.7 t80 -68.78 -22.83 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -90.52 -32.95 16.12 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.784 0.326 . . . . 0.0 111.654 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.438 ' HB3' HD11 ' A' ' 67' ' ' LEU . 15.1 t -67.54 -50.26 59.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.894 0.378 . . . . 0.0 110.459 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.527 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -72.16 128.94 37.25 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.868 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 13.1 p-10 -98.45 7.26 46.41 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.8 m -148.63 174.59 11.98 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.212 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.499 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.27 -57.44 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.982 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.99 -37.22 52.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -68.69 -41.14 79.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.723 ' HA ' HD22 ' A' ' 67' ' ' LEU . 28.3 t80 -60.83 -39.32 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.759 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.583 ' CZ ' HD21 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -77.73 -30.39 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -80.87 -55.71 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.339 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.876 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -53.86 -27.67 31.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.217 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.876 ' N ' HD23 ' A' ' 67' ' ' LEU . 2.5 tt -75.93 -37.78 58.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -33.58 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.34 -37.88 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 75' ' ' ILE . 1.4 mmmp? -68.41 -55.76 10.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.724 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.566 HG23 ' HB2' ' A' ' 25' ' ' ALA . 13.2 mt -64.73 -30.97 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -68.06 -57.84 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.753 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -45.66 88.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 71' ' ' LYS . 17.3 mt -67.82 -30.64 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -61.21 -44.07 97.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -74.84 -30.85 61.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.51 -29.01 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.709 HD12 ' HG ' ' B' ' 99' ' ' LEU . 7.9 tp -57.47 -30.54 65.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -74.21 -31.19 62.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -31.62 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.791 ' HG3' HD23 ' B' ' 99' ' ' LEU . 5.6 mmtm -68.08 -31.66 71.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -69.64 -44.92 69.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -3.33 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.39 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -9.13 31.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.754 0.312 . . . . 0.0 110.28 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -142.16 -13.79 0.81 Allowed 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.35 0.595 . . . . 0.0 112.047 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--N 1.31 -1.142 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.861 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.426 -0.269 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 59.7 p -171.72 120.23 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.594 ' O ' HG23 ' B' ' 91' ' ' THR . . . -59.64 166.32 9.65 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.594 HG23 ' O ' ' B' ' 90' ' ' GLY . 0.8 OUTLIER -164.7 143.96 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -132.63 101.62 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -31.79 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.08 -28.97 68.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.6 -36.58 67.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.817 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 28.0 m -78.16 -31.08 49.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.83 -38.25 87.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.67 HD23 ' HD2' ' A' ' 39' ' ' ARG . 6.9 mt -73.19 -31.08 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.791 HD23 ' HG3' ' A' ' 82' ' ' LYS . 5.0 tp -76.45 -37.57 56.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.71 -30.22 70.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.413 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 5.6 t80 -58.47 -54.91 41.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 93.7 p -77.26 -38.18 51.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.79 71.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 24.0 tpp -81.67 -39.14 24.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.58 -32.72 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' C ' HG23 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.4 t 59.77 170.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.521 ' H ' HG12 ' A' ' 2' ' ' VAL . 6.1 mtp180 -117.64 31.96 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 9.7 mtmm 61.79 4.81 1.17 Allowed 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 36.51 41.64 0.57 Allowed Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.679 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -74.87 -64.28 1.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -175.228 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.402 ' CE1' ' OH ' ' A' ' 55' ' ' TYR . 9.4 m80 -80.48 -13.82 58.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HG2' ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.64 -48.06 10.5 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -178.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.411 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -126.84 21.38 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.569 HG21 ' CZ3' ' A' ' 6' ' ' TRP . 71.6 t -109.51 -50.5 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p 48.67 -179.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.63 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -74.89 -52.51 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.608 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.26 -56.12 25.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.783 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -29.74 67.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.057 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -68.84 -51.62 38.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -59.5 -30.72 68.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -64.6 -30.75 71.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.989 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.758 HD21 ' CE1' ' A' ' 65' ' ' TYR . 11.9 mt -81.36 -29.25 34.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.446 HG13 ' HG2' ' A' ' 51' ' ' GLU . 40.9 t -58.44 -30.57 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.078 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -61.28 -28.55 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.85 -42.48 84.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.4 mm? -62.11 -34.55 76.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.764 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.9 t -74.07 -29.86 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.83 -28.29 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.824 ' HB2' HD12 ' A' ' 72' ' ' ILE . . . -58.96 -66.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.157 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 22' ' ' LEU . 3.9 mp -62.9 -30.54 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.85 84.84 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.41 -46.21 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.613 2.209 . . . . 0.0 112.387 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.428 HG21 ' OXT' ' B' ' 106' ' ' SER . 13.0 p -74.14 148.0 86.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.44 146.31 49.85 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.595 2.197 . . . . 0.0 112.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.13 92.05 3.32 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.58 -25.15 75.39 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.387 2.058 . . . . 0.0 112.18 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.23 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.16 75.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.62 -31.34 68.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.667 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -85.08 -24.25 28.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.31 146.56 47.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -73.14 -30.82 63.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.711 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.61 -37.38 81.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.91 -30.22 61.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.81 -33.72 68.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.619 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -79.94 -30.75 39.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.776 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.711 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -58.77 -44.93 90.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -60.29 -58.53 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.019 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.8 -39.84 71.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.674 ' CZ ' HD23 ' B' ' 95' ' ' LEU . 31.8 t80 -62.75 -57.54 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.764 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 22' ' ' LEU . . . -60.18 -42.1 94.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -60.15 -30.98 69.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -44.28 54.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -68.05 -54.04 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HG2' HG13 ' A' ' 19' ' ' VAL . 2.7 pp20? -50.32 -46.67 55.67 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.21 -29.3 74.05 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.374 -0.917 . . . . 0.0 110.907 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -78.31 -29.79 47.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.007 0.432 . . . . 0.0 110.17 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.546 ' HG3' HD12 ' A' ' 68' ' ' LEU . 18.1 mmt -65.4 -33.04 75.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.679 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 43.0 t80 -74.79 -22.65 58.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.164 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.27 -22.57 21.54 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 122.194 -0.316 . . . . 0.0 111.828 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.1 t -81.67 -42.07 20.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.822 0.344 . . . . 0.0 110.995 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.554 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -75.29 125.37 28.83 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.444 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.54 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.5 p-10 -88.38 2.54 52.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.31 162.44 37.73 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.566 ' HG3' HG22 ' A' ' 10' ' ' VAL . 3.9 ttp180 -59.62 -49.58 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.48 -48.68 47.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -64.81 -36.08 83.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.712 ' HA ' HD22 ' A' ' 67' ' ' LEU . 28.1 t80 -61.66 -39.37 91.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.781 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.758 ' CE1' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -77.71 -30.11 51.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -80.81 -57.11 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.903 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.62 -27.64 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.903 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.3 tp -78.81 -41.45 30.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.16 90.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.094 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -58.8 -43.06 90.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 75' ' ' ILE . 5.0 mtpt -64.14 -55.74 19.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.824 HD12 ' HB2' ' A' ' 25' ' ' ALA . 32.2 mm -64.17 -29.21 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.69 -52.55 36.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.818 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -45.53 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.489 HD12 ' O ' ' A' ' 71' ' ' LYS . 16.3 mt -63.26 -29.94 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.17 -54.74 43.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.72 -29.86 70.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -26.26 62.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.015 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.766 ' HA ' HD11 ' B' ' 99' ' ' LEU . 2.3 tt -54.66 -52.67 61.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.029 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -30.76 46.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.2 -28.05 69.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.649 ' CG ' HD12 ' B' ' 99' ' ' LEU . 0.1 OUTLIER -69.85 -27.1 64.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.008 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -63.45 -42.73 98.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.539 ' O ' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -87.39 -3.24 59.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.465 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.1 m -62.04 -13.55 27.24 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -140.42 -13.54 1.01 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.317 0.579 . . . . 0.0 111.831 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.7 mp . . . . . 0 C--N 1.309 -1.154 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 t -135.67 -56.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.38 178.5 22.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.43 -69.11 0.16 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.702 0.287 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.5 82.16 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -131.45 -68.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.07 -26.47 68.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 46' ' ' TYR . 0.5 OUTLIER -55.13 -33.05 62.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.859 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 28.4 p -78.02 -35.44 49.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -78.72 -31.32 46.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.519 ' HB3' HG21 ' A' ' 26' ' ' ILE . 6.4 mt -78.4 -44.37 25.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.766 HD11 ' HA ' ' A' ' 79' ' ' LEU . 2.5 tm? -59.29 -38.55 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -66.11 -36.53 83.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.433 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 16.0 t80 -60.17 -34.34 73.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.4 t -86.19 -34.99 20.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.62 -31.47 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.1 mmm -63.14 -58.77 6.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -101.93 105.57 16.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.428 ' OXT' HG21 ' A' ' 29' ' ' THR . 1.6 m . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 m -124.24 178.13 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.99 34.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.628 ' O ' ' O ' ' A' ' 59' ' ' ASN . 2.9 mtmm 62.18 5.62 1.56 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.339 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 32.03 45.91 0.2 Allowed Glycine 0 C--N 1.347 1.14 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -81.02 -64.31 1.22 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -175.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -74.25 -12.09 60.46 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.43 -53.39 5.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -177.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.453 ' HB3' ' HG3' ' A' ' 61' ' ' ARG . 48.4 t-80 -138.48 34.09 2.26 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.824 HG22 ' HG2' ' A' ' 61' ' ' ARG . 5.1 t -100.71 -62.29 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.806 177.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p 55.44 169.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.315 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -74.33 -36.13 63.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.63 -56.02 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.54 -37.07 85.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.666 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.8 tmm_? -65.45 -47.59 75.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 t -58.26 -30.79 66.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -73.45 -29.86 62.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 64' ' ' TYR . 1.4 mt -81.84 -30.33 32.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 15' ' ' ARG . 49.1 t -57.57 -31.42 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -71.99 -29.24 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.823 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -57.84 -41.49 82.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.719 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -36.25 78.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.2 t -77.4 -30.54 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -73.33 -31.43 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.808 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -59.34 -47.12 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.957 HD12 HD21 ' A' ' 43' ' ' LEU . 30.6 mt -74.4 -38.59 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -132.43 73.02 77.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.42 -62.72 0.24 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.612 2.208 . . . . 0.0 112.343 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 p -59.91 148.12 77.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.32 146.45 50.79 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.518 2.145 . . . . 0.0 112.317 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.7 t70 -150.92 91.9 3.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.59 -25.88 75.66 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.413 2.075 . . . . 0.0 112.149 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.32 40.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.83 -33.4 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.96 -31.77 70.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.98 -25.34 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.08 142.56 51.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.8 -29.74 68.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.84 -39.77 82.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.942 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 42.1 tpp -59.5 -29.11 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -56.68 -31.62 64.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.91 -32.99 40.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.812 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.957 HD21 HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -60.8 -43.15 98.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.478 HG12 ' CD ' ' A' ' 48' ' ' LYS . 23.9 t -60.3 -58.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.6 73.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.682 ' O ' HG23 ' A' ' 50' ' ' VAL . 76.1 t80 -60.13 -56.83 16.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.785 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.04 -29.4 70.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CD ' HG12 ' A' ' 44' ' ' VAL . 7.5 mtpm? -65.69 -39.0 90.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -80.83 -36.42 31.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.055 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.0 t -75.61 -46.0 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.391 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -48.47 -47.11 38.7 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.759 0.314 . . . . 0.0 110.377 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.25 -32.63 83.33 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.42 -0.895 . . . . 0.0 110.955 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.5 -28.11 46.28 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.027 0.441 . . . . 0.0 110.359 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -73.59 -35.45 65.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.827 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 4.2 t80 -67.52 -54.85 16.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.59 -30.49 65.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.834 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.52 -27.83 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.401 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.467 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -94.92 127.46 40.98 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.877 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.628 ' O ' ' O ' ' A' ' 4' ' ' LYS . 3.3 m-20 -77.83 -5.24 50.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 176.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.452 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 52.9 m -153.99 178.7 9.65 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.172 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.824 ' HG2' HG22 ' A' ' 10' ' ' VAL . 1.1 tmm_? -67.19 -60.3 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.82 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -46.78 -48.56 20.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.58 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -58.88 -34.86 72.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.091 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.762 ' CE2' HD13 ' A' ' 18' ' ' LEU . 28.6 t80 -67.0 -29.68 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.062 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -43.27 31.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.144 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -79.36 -30.09 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.89 -54.7 8.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.595 HD22 HD11 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -58.58 -36.54 74.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.65 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.203 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -43.01 88.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.498 ' O ' HD12 ' A' ' 75' ' ' ILE . 14.3 mmmm -62.61 -55.84 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.721 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.808 HG23 ' HB2' ' A' ' 25' ' ' ALA . 7.3 mt -63.19 -31.58 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.715 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -73.18 -37.73 66.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.703 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -78.5 -45.31 22.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 71' ' ' LYS . 7.8 mt -65.81 -32.99 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.11 -54.03 50.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -31.05 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.8 -31.56 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.568 ' HA ' HD21 ' B' ' 99' ' ' LEU . 4.1 tt -59.12 -31.4 68.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.34 -31.28 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.81 -31.26 70.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -60.21 -31.6 70.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.95 -42.87 25.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -3.47 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.316 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -63.16 -12.61 28.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -139.15 -13.71 1.18 Allowed 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.369 0.604 . . . . 0.0 111.77 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.31 -1.133 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.943 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.0 t -89.22 106.55 18.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.63 57.13 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 3.3 p -143.61 179.24 7.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.31 131.7 39.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -105.82 -33.68 7.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.93 -28.94 49.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.54 -36.81 67.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.842 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 81.1 p -78.15 -31.19 49.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.756 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.39 -36.06 77.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -79.99 -31.26 39.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.568 HD21 ' HA ' ' A' ' 79' ' ' LEU . 9.0 tp -61.37 -48.38 81.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.033 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.03 -32.67 71.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.43 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 45.3 t80 -60.58 -42.4 96.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -72.38 -31.79 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.86 -38.44 57.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 12.5 mmt -63.96 -47.77 79.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -134.12 109.55 9.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.887 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.5 173.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.095 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -179.3 146.77 0.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HD3' ' HB2' ' A' ' 59' ' ' ASN . 0.9 OUTLIER -50.44 163.04 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.253 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.29 63.88 2.12 Favored Glycine 0 C--N 1.334 0.422 0 N-CA-C 107.144 -2.382 . . . . 0.0 107.144 175.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.686 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.01 -64.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -174.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 11.1 t60 -69.22 -13.62 62.51 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.434 -177.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.91 -53.17 7.9 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.555 ' O ' HD13 ' A' ' 14' ' ' LEU . 16.0 t60 -122.42 24.67 9.21 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.835 HG22 ' CZ ' ' A' ' 61' ' ' ARG . 97.1 t -108.82 -56.08 4.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.438 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 1.0 OUTLIER 46.34 -174.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.621 178.624 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.05 -47.45 28.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.454 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -56.33 20.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.813 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -65.8 -42.6 90.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.309 . . . . 0.0 110.972 -179.562 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.556 ' HB2' HG12 ' A' ' 10' ' ' VAL . 71.4 ttt180 -60.04 -50.98 71.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.818 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -58.32 -39.51 79.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -59.25 -28.89 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.992 HD23 HD13 ' A' ' 68' ' ' LEU . 3.6 mp -82.38 -29.75 30.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.64 -36.67 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -62.14 -31.28 71.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.723 ' HG2' HD13 ' A' ' 72' ' ' ILE . 6.1 tttt -60.09 -44.65 94.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -60.67 -38.02 83.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.5 t -65.79 -29.76 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG3' ' HA ' ' A' ' 28' ' ' PRO . 3.1 tt0 -73.32 -29.96 63.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.522 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -57.16 -54.12 50.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 43' ' ' LEU . 30.8 mt -74.27 -41.67 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 29' ' ' THR . 6.9 t80 -130.9 82.76 63.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.726 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 78.2 Cg_exo -50.57 -62.6 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.707 2.272 . . . . 0.0 112.556 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.408 ' O ' ' CZ ' ' A' ' 27' ' ' PHE . 1.1 p -81.43 140.41 48.44 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -77.97 179.23 6.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.562 2.175 . . . . 0.0 112.321 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -178.01 130.32 0.3 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.33 -29.8 20.59 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.393 2.062 . . . . 0.0 112.23 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.77 -30.98 40.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.06 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.38 -30.45 64.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -88.18 -24.04 23.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.38 161.53 4.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -29.19 62.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.125 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.549 ' CD ' HD23 ' B' ' 98' ' ' LEU . 5.8 tmm_? -56.16 -47.11 78.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.028 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.438 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -57.99 -32.18 67.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.34 -40.26 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.564 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -80.03 -30.02 39.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.741 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -59.93 -43.79 94.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 40' ' ' MET . 33.2 t -61.94 -59.34 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.62 95.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.735 ' O ' HG23 ' A' ' 50' ' ' VAL . 31.2 t80 -59.79 -51.74 68.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.42 -28.33 69.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -69.14 -37.5 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.053 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -80.64 -36.1 33.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.039 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 46' ' ' TYR . 23.5 t -75.43 -46.15 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.208 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -49.67 -46.15 49.51 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.53 -31.45 77.68 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.417 -0.897 . . . . 0.0 110.87 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.43 -29.3 46.97 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.992 0.425 . . . . 0.0 110.165 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.4 mmt -77.19 -50.18 13.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.686 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 24.6 t80 -61.93 -23.11 66.15 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.217 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.28 -27.26 20.68 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 t -54.38 -24.37 19.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -99.01 137.15 37.95 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.506 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.471 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 5.7 p-10 -102.87 2.72 35.7 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 m -145.32 176.88 9.23 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.614 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.835 ' CZ ' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.37 -59.6 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.175 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.63 -29.69 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.513 ' HG3' HD23 ' A' ' 67' ' ' LEU . 18.0 tp10 -68.71 -36.99 79.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CE2' HD22 ' A' ' 18' ' ' LEU . 12.0 t80 -68.97 -38.37 79.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.993 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.453 ' OH ' HD21 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -71.12 -29.77 65.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.964 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -80.88 -57.11 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 58' ' ' ALA . 4.0 pp -59.18 -29.8 67.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.992 HD13 HD23 ' A' ' 18' ' ' LEU . 4.5 tt -69.07 -52.08 32.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.24 -38.39 73.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.73 -38.6 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.802 ' HE3' HD11 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -69.27 -55.86 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.723 HD13 ' HG2' ' A' ' 21' ' ' LYS . 3.9 mt -63.98 -31.34 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -64.83 -42.89 94.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.708 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -76.63 -43.2 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.948 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.802 HD11 ' HE3' ' A' ' 71' ' ' LYS . 8.3 mt -66.68 -33.82 65.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -61.03 -41.15 96.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -77.54 -29.56 52.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.7 -31.04 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.575 ' HA ' HD21 ' B' ' 99' ' ' LEU . 1.1 tt -59.28 -31.31 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -70.52 -31.16 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -60.18 -34.01 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.45 ' HG3' HD23 ' B' ' 99' ' ' LEU . 12.1 mmtt -68.73 -32.17 71.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.8 tpt85 -74.79 -41.92 59.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -3.32 47.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.316 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.9 p -64.12 -11.45 30.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.796 0.331 . . . . 0.0 110.161 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -140.78 -14.0 0.95 Allowed 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.29 0.567 . . . . 0.0 111.876 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.31 -1.151 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.9 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 14.6 t -173.95 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.07 -44.55 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.54 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.52 -69.06 0.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.737 0.303 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.4 136.76 25.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -124.01 31.7 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -79.21 -28.62 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.73 HD21 ' OH ' ' A' ' 46' ' ' TYR . 6.7 mt -55.67 -36.57 67.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.81 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 30.1 t -78.07 -31.13 50.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -65.01 -40.99 95.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.549 HD23 ' CD ' ' A' ' 39' ' ' ARG . 1.7 mp -76.08 -42.51 47.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' A' ' 79' ' ' LEU . 6.0 tp -58.94 -30.16 67.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -62.01 -46.81 87.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.82 -42.51 93.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 72.8 m -75.22 -39.85 59.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.52 -34.29 72.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -31.62 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -131.71 112.3 12.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.928 179.918 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.4 t -142.53 170.61 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.54 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -99.41 42.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.533 ' O ' ' C ' ' A' ' 5' ' ' GLY . 3.9 mtmm 61.46 4.62 1.01 Allowed 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.498 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 33.22 44.05 0.24 Allowed Glycine 0 C--N 1.347 1.142 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.705 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -80.25 -64.16 1.25 Allowed 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -74.78 -12.1 60.32 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.29 -52.8 5.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -177.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -137.85 36.33 2.39 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -179.013 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 6' ' ' TRP . 1.7 t -117.69 -52.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p 50.62 175.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.604 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -74.71 -41.51 60.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.266 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -57.69 -56.27 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.497 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -33.37 73.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.806 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.884 ' O ' HG23 ' A' ' 19' ' ' VAL . 24.8 ttm180 -60.46 -32.24 71.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 -37.57 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.786 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -65.24 -37.31 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.74 HD13 ' CE2' ' A' ' 64' ' ' TYR . 8.3 mt -69.74 -31.98 70.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.796 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 15' ' ' ARG . 44.3 t -63.72 -29.84 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.05 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -69.56 -32.08 70.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.741 ' HE3' HD23 ' A' ' 68' ' ' LEU . 9.8 mtpp -59.44 -43.87 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.808 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -32.11 70.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.6 t -77.31 -31.04 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -72.73 -34.59 67.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.792 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.0 -47.5 82.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.981 HG23 HD12 ' B' ' 99' ' ' LEU . 33.9 mt -71.54 -30.57 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.011 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' B' ' 102' ' ' SER . 0.3 OUTLIER -148.18 85.06 6.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.61 -46.04 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.562 2.175 . . . . 0.0 112.363 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.7 p -67.66 146.73 98.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.34 146.45 40.09 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.605 2.204 . . . . 0.0 112.284 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.421 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 3.9 t0 -151.25 89.87 4.16 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.753 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 28.0 Cg_endo -62.73 -25.81 75.06 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.432 2.088 . . . . 0.0 112.165 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -24.45 41.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . . . -71.72 -36.77 70.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.113 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.28 -31.68 65.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -87.04 -24.97 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.86 137.81 49.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -59.39 -27.56 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.06 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.477 ' NH2' HD12 ' A' ' 43' ' ' LEU . 2.6 tmm_? -52.01 -51.19 58.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -26.47 60.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.3 -33.23 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -79.9 -31.12 40.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.717 HD21 HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -59.74 -52.36 65.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.935 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.5 -58.95 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.86 67.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.606 ' O ' HG23 ' A' ' 50' ' ' VAL . 34.3 t80 -61.79 -47.88 83.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.742 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.23 63.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -35.69 80.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.109 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -80.85 -36.23 31.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.027 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 46' ' ' TYR . 21.4 t -75.55 -46.0 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.249 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.88 -46.79 43.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.785 0.326 . . . . 0.0 110.237 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.8 -32.04 80.36 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.298 -0.953 . . . . 0.0 110.859 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.47 -27.01 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.007 0.432 . . . . 0.0 110.272 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 31.4 mmt -78.15 -39.23 41.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.622 ' O ' ' HZ2' ' A' ' 6' ' ' TRP . 4.9 t80 -68.4 -54.76 15.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.735 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -48.95 -36.28 17.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.3 t -51.81 -54.34 29.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 111.394 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 64' ' ' TYR . . . -64.29 128.38 35.55 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.219 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.53 ' O ' ' O ' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -84.13 -1.99 56.0 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.522 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.43 -172.71 4.32 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.786 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HG3' HG22 ' A' ' 10' ' ' VAL . 10.1 ttp85 -72.96 -55.43 6.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.7 -53.15 51.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.483 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.52 -25.31 16.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.245 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.74 ' CE2' HD13 ' A' ' 18' ' ' LEU . 10.6 t80 -79.03 -44.8 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.433 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -66.12 -27.18 67.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -73.34 -57.07 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.11 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 68' ' ' LEU . 3.9 pp -58.9 -30.54 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.101 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.741 HD23 ' HE3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -64.51 -36.25 83.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.65 99.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.96 -45.46 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.691 ' HD3' HD11 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -63.04 -55.87 21.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.792 HG23 ' HB2' ' A' ' 25' ' ' ALA . 4.2 mt -60.9 -30.77 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -75.16 -57.25 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -57.94 -48.2 80.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.691 HD11 ' HD3' ' A' ' 71' ' ' LYS . 17.9 mt -62.93 -29.92 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.176 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.551 HE21 HG22 ' A' ' 72' ' ' ILE . 4.5 mt-30 -66.32 -50.7 62.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -77.52 -31.13 53.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -61.28 -30.83 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.677 ' HA ' HD23 ' B' ' 99' ' ' LEU . 7.9 tp -59.21 -31.1 68.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.23 -31.0 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.06 -32.52 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -39.64 92.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 ttt85 -60.04 -43.01 95.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -79.58 -3.42 46.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.427 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 t -65.0 -9.93 25.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 0.0 110.312 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -143.46 -13.68 0.68 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.331 0.586 . . . . 0.0 112.073 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.311 -1.105 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.91 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.1 m -168.46 132.6 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.409 ' O ' HG23 ' B' ' 91' ' ' THR . . . 153.65 102.0 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.509 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.409 HG23 ' O ' ' B' ' 90' ' ' GLY . 1.8 p -156.86 -74.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -121.93 143.49 49.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.51 30.46 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -79.54 -28.69 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.529 HD23 ' C ' ' B' ' 95' ' ' LEU . 8.6 tt -55.29 -33.0 62.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.829 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 1.6 m -78.16 -34.51 49.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.763 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.67 -31.01 46.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.717 HD21 ' HA ' ' A' ' 43' ' ' LEU . 12.0 tp -74.66 -34.84 62.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.981 HD12 HG23 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -80.28 -29.16 38.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.012 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.52 -48.81 78.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.41 ' CD2' ' HG3' ' A' ' 39' ' ' ARG . 22.3 t80 -59.57 -31.31 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . 0.41 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 1.2 m -81.04 -31.5 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.43 -31.0 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.2 ttp -60.1 -31.42 70.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -97.93 36.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.51 ' C ' HG23 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.711 -0.156 . . . . 0.0 112.711 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.523 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.4 t 65.1 170.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.966 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.523 ' H ' HG12 ' A' ' 2' ' ' VAL . 5.8 mtt-85 60.97 163.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -50.83 159.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.501 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.82 64.5 1.89 Allowed Glycine 0 C--N 1.333 0.39 0 N-CA-C 107.153 -2.379 . . . . 0.0 107.153 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.679 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.7 -65.29 1.03 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 -174.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -62.45 -13.06 25.93 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.001 -0.999 . . . . 0.0 113.48 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.38 -52.59 7.58 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -177.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.401 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 69.6 t60 -133.94 37.39 3.24 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.679 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -112.98 -46.19 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p 47.55 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.711 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -52.58 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.579 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.66 -56.29 22.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.761 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.6 68.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 111.024 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 19' ' ' VAL . 78.1 ttt180 -69.06 -52.18 31.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.705 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -60.44 -38.59 84.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -59.59 -31.42 69.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.831 HD13 ' CE2' ' A' ' 64' ' ' TYR . 5.9 mt -77.28 -33.16 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.782 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 15' ' ' ARG . 39.3 t -59.74 -31.23 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.66 -28.94 69.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.808 ' CB ' HD21 ' A' ' 68' ' ' LEU . 20.5 mmtt -57.77 -45.33 86.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.446 HD11 ' HG3' ' A' ' 54' ' ' MET . 2.5 mp -60.28 -32.12 70.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.763 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.8 t -73.57 -30.25 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -31.28 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB1' ' HB ' ' A' ' 75' ' ' ILE . . . -58.12 -38.14 75.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 1.086 HD12 HD21 ' A' ' 43' ' ' LEU . 28.4 mt -87.53 -32.02 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 29' ' ' THR . 9.9 t80 -141.48 78.68 18.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.767 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.8 -62.17 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.686 2.258 . . . . 0.0 112.524 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.408 ' O ' ' CZ ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -69.24 136.36 89.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.71 175.5 11.29 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.496 2.13 . . . . 0.0 112.27 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -177.17 130.29 0.34 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.25 -27.17 24.46 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.482 2.121 . . . . 0.0 112.293 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.62 -29.58 41.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.27 -47.96 83.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.54 -27.82 58.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.74 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -93.26 -22.24 19.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 151.72 15.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.855 0.359 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -73.11 -29.69 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.597 ' NH1' HD12 ' A' ' 43' ' ' LEU . 2.6 ppt_? -62.09 -34.5 76.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.953 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.468 ' HE3' HD13 ' A' ' 43' ' ' LEU . 1.2 tpt -59.95 -29.48 68.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -56.74 -34.0 67.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -79.97 -31.19 39.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.086 HD21 HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -63.62 -42.67 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 40' ' ' MET . 21.8 t -59.34 -59.38 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.35 76.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.498 ' O ' HG23 ' A' ' 50' ' ' VAL . 33.9 t80 -67.37 -51.8 47.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.53 -30.98 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -64.61 -32.18 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -40.93 24.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.3 t -75.54 -44.77 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -49.88 -42.84 48.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.887 0.375 . . . . 0.0 110.269 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.29 -31.76 81.53 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.446 -0.883 . . . . 0.0 110.917 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -78.51 -28.39 46.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.957 0.408 . . . . 0.0 110.245 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.446 ' HG3' HD11 ' A' ' 22' ' ' LEU . 26.9 mmt -70.42 -49.74 45.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.547 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 9.2 t80 -57.31 -54.11 50.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.13 -39.35 63.42 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.695 ' HB3' HD22 ' A' ' 67' ' ' LEU . 36.1 t -47.07 -29.05 1.96 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 111.394 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -93.03 134.98 34.62 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.621 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.456 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 8.5 p-10 -97.24 0.8 48.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m -148.42 -178.75 6.49 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.708 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.544 ' HG2' HG22 ' A' ' 10' ' ' VAL . 3.5 tmm_? -74.41 -55.76 5.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -55.86 -42.04 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -59.06 -31.3 68.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.831 ' CE2' HD13 ' A' ' 18' ' ' LEU . 9.4 t80 -76.02 -30.47 58.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.435 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -76.68 -28.8 56.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.983 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -80.9 -51.96 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.778 HD12 ' N ' ' A' ' 68' ' ' LEU . 4.4 pp -57.77 -29.93 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.064 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.808 HD21 ' CB ' ' A' ' 21' ' ' LYS . 4.8 tt -68.91 -53.08 23.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.533 ' HA ' HG22 ' A' ' 72' ' ' ILE . . . -61.86 -22.46 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.83 -37.93 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 110.407 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.663 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -82.05 -41.74 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.685 HD12 ' HB3' ' A' ' 21' ' ' LYS . 8.3 tt -58.68 -40.36 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 110.986 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.17 -32.18 61.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.68 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -70.18 -56.25 7.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.663 HD12 ' O ' ' A' ' 71' ' ' LYS . 3.5 mt -63.35 -29.97 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.08 -31.22 68.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -75.83 -31.14 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -61.26 -31.48 71.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.646 ' HG ' HD11 ' B' ' 99' ' ' LEU . 8.3 mt -59.83 -31.39 69.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.22 -31.6 72.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.06 -31.38 72.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.494 ' HG2' HD23 ' B' ' 99' ' ' LEU . 8.6 mmtm -67.37 -49.98 61.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -61.33 -40.04 92.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -3.28 54.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.329 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.9 t -65.82 -9.66 30.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.761 0.315 . . . . 0.0 110.33 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -142.27 -13.84 0.79 Allowed 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.308 0.575 . . . . 0.0 112.008 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.706 HD23 ' OXT' ' A' ' 87' ' ' LEU . 1.7 tt . . . . . 0 C--N 1.31 -1.138 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 17.8 t -64.0 -41.64 97.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 104.99 130.27 6.73 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -111.16 -36.76 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.96 156.27 21.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -108.76 -31.45 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.05 -28.82 68.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.48 -35.53 65.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 36.5 m -78.05 -31.36 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.809 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.47 -43.04 77.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.71 -35.61 72.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.646 HD11 ' HG ' ' A' ' 79' ' ' LEU . 7.6 tp -69.74 -33.18 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.32 -36.15 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.456 ' CD2' ' NE ' ' A' ' 39' ' ' ARG . 83.0 t80 -63.85 -47.41 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 70.8 m -67.66 -37.62 82.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.67 -40.35 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 15.3 ttm -77.29 -60.04 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -101.64 106.46 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.868 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 m -121.72 179.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.79 0.329 . . . . 0.0 111.172 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.39 152.66 20.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -53.08 160.58 0.99 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.342 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.68 60.83 2.48 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 107.34 -2.304 . . . . 0.0 107.34 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.18 -64.34 1.2 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -175.071 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.669 ' CE1' ' HH ' ' A' ' 55' ' ' TYR . 39.6 m80 -74.65 -12.88 60.55 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.459 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.81 -53.1 6.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -177.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.411 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 4.9 m170 -123.72 19.55 9.44 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 6' ' ' TRP . 87.5 t -103.1 -56.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' VAL . 1.3 p 53.71 164.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.546 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -74.87 -48.22 26.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.692 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.39 -56.27 22.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.812 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 10' ' ' VAL . 6.9 tt -63.19 -29.71 71.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.072 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.68 ' O ' HG23 ' A' ' 19' ' ' VAL . 12.0 ttm180 -65.49 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -31.5 69.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -72.12 -31.64 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.839 HD21 ' CE1' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -78.72 -30.94 46.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 15' ' ' ARG . 47.3 t -58.64 -29.57 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.06 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -72.22 -27.91 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -57.44 -46.21 83.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.421 ' CD1' HD11 ' A' ' 68' ' ' LEU . 4.0 mp -59.73 -31.83 69.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.8 t -74.13 -29.71 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -70.82 -26.78 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.859 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -56.84 -64.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.166 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.522 ' CD1' HD21 ' A' ' 43' ' ' LEU . 5.1 mt -63.13 -30.77 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.69 85.04 17.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.51 -46.23 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.58 2.186 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.19 148.4 86.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.18 146.54 51.79 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.548 2.165 . . . . 0.0 112.322 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 32' ' ' PRO . 34.0 t0 -152.88 89.83 3.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 25.7 Cg_endo -62.07 -26.21 78.07 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.471 2.114 . . . . 0.0 112.135 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.59 -26.06 41.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.059 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.12 77.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.08 -31.4 67.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.744 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -85.43 -24.11 27.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.83 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.67 145.22 55.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -30.0 66.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.686 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -59.34 -38.94 81.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -30.03 64.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -57.3 -32.84 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.803 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -79.95 -30.98 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.759 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.686 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -59.65 -47.04 87.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.3 t -59.79 -58.98 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.27 67.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.621 ' OH ' HD21 ' B' ' 95' ' ' LEU . 20.2 t80 -69.12 -56.47 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.34 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -60.62 -30.83 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -42.22 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.707 HG12 ' SD ' ' A' ' 54' ' ' MET . 22.6 t -70.8 -53.35 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.91 -46.72 52.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.858 0.361 . . . . 0.0 110.122 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.9 -29.73 73.25 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.34 -0.933 . . . . 0.0 110.915 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.2 -29.42 57.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.035 0.445 . . . . 0.0 110.098 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.707 ' SD ' HG12 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -65.88 -31.65 72.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.693 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.669 ' HH ' ' CE1' ' A' ' 7' ' ' HIS . 27.6 t80 -78.4 -23.24 46.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.036 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.45 -25.43 20.34 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.74 0.305 . . . . 0.0 111.409 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.401 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 1.2 m -78.7 -34.96 45.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.011 0.434 . . . . 0.0 110.154 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.529 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -86.6 128.31 34.98 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.799 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.476 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.4 p-10 -97.61 4.91 50.07 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -152.28 157.2 41.05 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.732 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' HD3' ' CB ' ' A' ' 9' ' ' HIS . 5.1 ttt85 -58.13 -50.83 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.785 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -50.06 -48.9 52.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.06 -36.86 85.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.558 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.649 ' HA ' HD22 ' A' ' 67' ' ' LEU . 28.0 t80 -61.24 -41.15 96.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.829 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.839 ' CE1' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.69 -29.29 51.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.038 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 39.4 m170 -80.67 -57.08 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.896 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.24 -27.75 62.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.049 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.896 ' N ' HD23 ' A' ' 67' ' ' LEU . 10.1 tt -74.12 -31.0 62.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.59 78.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -40.73 84.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -65.6 -55.8 15.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.765 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.859 HG23 ' HB2' ' A' ' 25' ' ' ALA . 47.5 mt -64.21 -31.73 54.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -72.3 -48.58 41.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.783 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -63.18 -45.26 92.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 71' ' ' LYS . 11.5 mt -67.64 -34.32 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -35.72 76.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -31.65 63.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.85 -30.89 71.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' HA ' HD21 ' B' ' 99' ' ' LEU . 0.7 OUTLIER -59.99 -31.68 70.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.954 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -62.62 -33.02 74.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.04 -31.62 72.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -72.18 -30.66 65.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -65.43 -30.27 71.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -86.2 -3.37 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.41 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.5 p -63.58 -11.07 21.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.752 0.31 . . . . 0.0 110.332 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -143.3 -14.03 0.69 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.314 0.578 . . . . 0.0 112.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--N 1.309 -1.165 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.884 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.53 80.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.342 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.688 ' O ' HG23 ' B' ' 91' ' ' THR . . . -135.52 -80.76 0.12 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.544 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.688 HG23 ' O ' ' B' ' 90' ' ' GLY . 0.8 OUTLIER -169.01 149.21 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.723 ' HB2' HD12 ' B' ' 95' ' ' LEU . 3.3 p-10 -129.35 88.06 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -110.15 -31.14 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -59.66 -29.6 68.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.723 HD12 ' HB2' ' B' ' 92' ' ' ASP . 2.1 mt -55.81 -36.61 67.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.799 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -31.33 50.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.8 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -44.44 69.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.448 ' HB3' HG21 ' A' ' 26' ' ' ILE . 34.6 mt -60.79 -36.88 80.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' ' 79' ' ' LEU . 10.2 tp -80.27 -32.7 38.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -60.72 -45.07 95.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -60.13 -34.71 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.9 m -76.31 -31.53 58.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.63 -30.69 68.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -31.77 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -130.71 99.12 4.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.889 -179.935 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.546 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.5 t -121.08 170.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.546 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -138.66 37.46 2.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.4 mtmm 61.64 6.92 1.69 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.724 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 32.25 45.23 0.19 Allowed Glycine 0 C--N 1.347 1.165 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.706 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.27 -64.18 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -175.261 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.415 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 62.5 t-80 -75.48 -13.33 60.37 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -52.67 7.94 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.461 ' O ' HD22 ' A' ' 14' ' ' LEU . 7.7 t60 -127.37 38.49 4.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 6' ' ' TRP . 47.8 t -121.12 -56.74 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 177.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.415 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 0.8 OUTLIER 44.44 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.935 178.26 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -75.16 -47.63 27.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.516 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.88 -56.37 23.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.965 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.839 HD23 ' NH2' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -62.26 -29.74 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.972 -179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -69.65 -53.43 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.706 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -56.53 -37.73 70.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -62.13 -29.81 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.781 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' A' ' 65' ' ' TYR . 9.6 mt -80.99 -29.91 35.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.55 ' O ' HG23 ' A' ' 23' ' ' VAL . 56.8 t -56.06 -40.91 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -60.59 -48.6 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.621 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -59.4 -32.96 70.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.5 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.774 HD23 ' HB1' ' A' ' 47' ' ' ALA . 16.2 tp -68.15 -34.34 76.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.423 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 19' ' ' VAL . 44.3 t -77.32 -29.01 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.93 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -25.58 66.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.94 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -52.51 -45.4 66.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.144 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.562 HD13 HD21 ' A' ' 43' ' ' LEU . 4.3 mp -87.61 -31.39 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -134.78 76.22 60.38 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.757 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.12 -63.24 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.665 2.243 . . . . 0.0 112.598 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 p -69.53 153.24 95.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.994 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.63 160.83 41.39 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.655 2.236 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 3.9 t70 -163.52 88.52 1.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 23.0 Cg_endo -61.37 -25.82 80.64 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.428 2.086 . . . . 0.0 112.182 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.65 -24.42 41.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.013 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.98 81.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.42 -30.78 63.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -85.48 -24.78 27.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.858 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.66 133.81 52.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -60.24 -29.38 68.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.681 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.39 -38.52 77.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -29.84 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -57.23 -35.53 69.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.74 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -79.89 -30.33 40.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.856 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.681 HD12 ' NH2' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -59.04 -45.85 89.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.1 t -59.25 -57.81 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.48 -33.02 52.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CZ ' ' CD2' ' B' ' 95' ' ' LEU . 55.5 t80 -67.41 -54.27 21.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.688 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.774 ' HB1' HD23 ' A' ' 22' ' ' LEU . . . -61.43 -30.16 70.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -69.13 -32.94 72.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -75.07 -39.57 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.559 HG11 ' CE ' ' A' ' 71' ' ' LYS . 13.1 t -74.32 -51.25 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.564 ' HB3' HD22 ' A' ' 22' ' ' LEU . 15.9 pt-20 -50.19 -43.63 52.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.888 0.375 . . . . 0.0 110.0 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.21 -31.91 82.35 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.77 -31.86 57.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.111 0.481 . . . . 0.0 110.013 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.3 mmt -70.99 -31.74 68.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.507 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.706 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 41.0 t80 -73.14 -22.54 60.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.987 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -90.32 -21.93 21.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.26 -42.41 25.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.87 0.367 . . . . 0.0 111.055 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -75.62 126.05 30.24 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.566 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.524 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 12.7 m120 -91.82 5.65 49.08 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -161.94 164.33 28.52 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.744 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.839 ' NH2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.73 -53.78 53.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.926 0.393 . . . . 0.0 110.772 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -46.45 -52.42 13.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.451 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.416 ' HB3' ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -57.44 -45.75 84.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.897 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.527 ' CE2' HD13 ' A' ' 18' ' ' LEU . 36.1 t80 -58.84 -35.12 72.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CE1' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.77 -29.89 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.269 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -80.87 -57.18 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.48 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 58' ' ' ALA . 4.1 pp -59.85 -31.64 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.271 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.61 -32.93 74.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.75 -27.68 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.324 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -53.89 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.228 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.559 ' CE ' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.49 -44.13 89.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.151 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.94 HG23 ' HB2' ' A' ' 25' ' ' ALA . 43.8 mt -66.66 -32.41 57.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.731 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -70.65 -50.05 40.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.641 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -47.88 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 71' ' ' LYS . 15.0 mt -66.97 -29.84 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.111 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -58.34 -31.17 67.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -77.37 -30.95 54.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.38 -29.92 69.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.704 ' O ' HD23 ' A' ' 79' ' ' LEU . 4.9 tt -57.75 -34.29 69.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.75 -31.32 70.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.9 -31.23 70.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.764 ' HG2' HD23 ' B' ' 99' ' ' LEU . 5.5 mmtm -65.35 -37.95 88.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -42.19 98.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.27 -3.34 58.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.428 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.7 m -64.63 -10.19 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.682 0.277 . . . . 0.0 110.322 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -143.77 -13.73 0.65 Allowed 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.343 0.592 . . . . 0.0 112.076 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--N 1.31 -1.13 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.832 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.4 p -132.91 141.08 48.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 104.8 73.13 0.9 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -75.69 -57.56 3.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -107.59 151.27 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -119.41 31.47 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . 0.44 ' O ' HD12 ' B' ' 98' ' ' LEU . 42.7 mm-40 -79.48 -28.72 41.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.655 HD13 ' O ' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -55.41 -37.66 67.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -30.75 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -66.3 -38.69 88.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.44 HD12 ' O ' ' B' ' 94' ' ' GLU . 5.4 mp -80.04 -31.94 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.764 HD23 ' HG2' ' A' ' 82' ' ' LYS . 2.5 tp -66.44 -29.9 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.15 -52.46 65.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -59.72 -31.16 69.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -75.61 -26.52 57.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.78 -27.43 41.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.268 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . 0.442 ' O ' ' CG ' ' B' ' 105' ' ' PHE . 42.8 mtt -79.06 -34.47 43.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.442 ' CG ' ' O ' ' B' ' 104' ' ' MET . 48.7 p90 43.9 31.3 0.48 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.508 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.928 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 m -127.61 173.67 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.74 143.32 36.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.2 OUTLIER -54.32 159.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 179.467 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.423 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.67 64.3 1.84 Allowed Glycine 0 C--N 1.332 0.355 0 N-CA-C 107.095 -2.402 . . . . 0.0 107.095 175.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.716 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.63 -65.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -174.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -62.72 -12.82 26.27 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.055 -177.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 1.1 pp20? -43.93 -53.21 6.34 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -134.4 32.45 3.37 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.716 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -107.07 -49.22 8.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.692 177.743 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.6 p 53.86 169.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.344 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -74.55 -31.29 62.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.13 -56.22 10.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.191 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -35.73 79.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.937 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 19' ' ' VAL . 33.4 ttm180 -60.77 -44.15 97.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.98 -46.49 89.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -59.29 -30.83 68.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 68' ' ' LEU . 81.8 mt -77.09 -29.94 55.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 15' ' ' ARG . 39.1 t -67.01 -29.63 46.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -67.98 -29.04 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.542 ' HB3' HD11 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -57.54 -45.41 85.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.89 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.428 HD21 ' SD ' ' A' ' 54' ' ' MET . 3.0 mp -59.93 -32.3 70.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.782 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.38 -30.05 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.071 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.6 -31.46 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.696 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -57.41 -48.94 77.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.441 HD12 HD21 ' A' ' 43' ' ' LEU . 30.1 mt -71.4 -50.27 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -130.26 78.32 74.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.1 -62.22 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.627 2.218 . . . . 0.0 112.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 p -64.61 153.15 88.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.41 148.04 53.78 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.576 2.184 . . . . 0.0 112.305 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 18.8 p30 -140.34 86.55 12.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.4 -26.7 81.7 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.455 2.103 . . . . 0.0 112.029 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -25.45 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.57 -31.89 73.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.56 -31.11 69.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -87.09 -26.38 23.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.08 146.9 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.13 -27.75 61.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HD3' ' CD2' ' B' ' 101' ' ' PHE . 0.2 OUTLIER -57.25 -46.85 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.036 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -30.45 67.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -30.83 65.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -79.95 -31.58 39.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.441 HD21 HD12 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -58.34 -41.87 85.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.2 t -59.95 -58.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.97 91.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.712 ' O ' HG23 ' A' ' 50' ' ' VAL . 57.0 t80 -60.66 -53.16 60.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -28.25 69.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -70.42 -36.19 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -80.74 -34.37 34.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.063 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 46' ' ' TYR . 23.6 t -75.52 -47.42 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.285 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -49.04 -46.38 44.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.792 0.33 . . . . 0.0 110.235 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.58 -31.15 78.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.451 -0.881 . . . . 0.0 110.926 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.4 -28.93 47.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.976 0.417 . . . . 0.0 110.258 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.563 ' HE1' ' HE2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -70.68 -48.92 52.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.837 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 8.9 t80 -59.6 -54.05 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.814 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.63 -39.52 61.82 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.454 ' HB3' HD22 ' A' ' 67' ' ' LEU . 42.7 t -46.88 -29.4 1.98 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 111.271 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.528 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -92.35 135.77 33.75 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.659 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.465 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.5 p-10 -94.45 -0.09 54.99 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.457 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -150.52 175.33 12.0 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.333 179.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.654 ' HG3' HG22 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -72.81 -44.46 61.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.754 0.311 . . . . 0.0 110.942 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.0 -49.41 76.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.994 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.24 -30.6 68.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.565 ' CE2' HD13 ' A' ' 18' ' ' LEU . 7.8 t80 -71.1 -31.77 68.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -29.91 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -75.26 -52.62 10.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 68' ' ' LEU . 4.3 pp -58.5 -29.41 66.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.716 HD22 HD22 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -65.82 -44.12 86.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.919 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.42 92.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.44 -41.55 85.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.563 ' HE2' ' HE1' ' A' ' 54' ' ' MET . 8.2 mmmt -66.33 -55.8 14.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.763 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.696 HG23 ' HB2' ' A' ' 25' ' ' ALA . 4.6 mt -63.03 -31.56 53.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.745 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -71.54 -51.16 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.747 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -46.18 86.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 71' ' ' LYS . 11.5 mt -67.14 -31.76 54.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -59.43 -52.57 65.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -63.65 -31.37 72.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.37 -30.71 71.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.7 -44.33 93.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.19 -31.64 70.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.69 -31.51 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -78.22 -28.05 47.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -74.36 -27.89 60.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -3.28 45.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.502 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.4 p -61.7 -12.19 15.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.663 0.268 . . . . 0.0 110.385 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -144.96 -14.06 0.53 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.264 0.554 . . . . 0.0 112.088 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.308 -1.204 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 p -106.38 31.92 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -136.0 28.44 2.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.525 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 10.4 m 68.56 -68.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -176.94 175.44 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -143.52 36.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.86 -27.48 57.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.7 tp -55.86 -34.67 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.871 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.6 m -78.11 -33.8 50.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.81 -31.25 45.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.27 -30.64 69.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.1 mt -78.78 -30.88 45.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -59.33 -32.78 70.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.415 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 11.0 t80 -59.86 -48.56 81.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 59.9 p -66.17 -36.81 84.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.51 93.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 34.5 mtp -86.6 -39.9 15.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -103.81 117.17 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.843 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.508 ' C ' HG23 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.526 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.4 t 64.81 170.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.687 0.28 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.526 ' H ' HG12 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -103.26 152.16 21.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.978 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -52.59 159.28 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.47 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.85 64.65 1.89 Allowed Glycine 0 C--N 1.331 0.299 0 N-CA-C 107.191 -2.364 . . . . 0.0 107.191 175.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.693 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.79 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -175.021 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -62.11 -13.16 23.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.988 -1.005 . . . . 0.0 113.494 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.37 -50.29 9.22 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -177.77 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -131.69 34.26 3.92 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.693 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -115.89 -41.56 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' VAL . 4.4 p 45.79 179.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.022 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -75.0 -46.92 31.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.532 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -72.76 -56.38 5.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.019 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -55.41 -29.54 58.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.113 -179.621 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -69.95 -35.24 74.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.716 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -33.92 72.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -57.76 -30.65 65.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.787 HD13 ' CE2' ' A' ' 64' ' ' TYR . 4.1 mt -80.15 -26.52 39.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.437 HG13 ' OE1' ' A' ' 51' ' ' GLU . 40.1 t -64.65 -28.76 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -72.41 -29.65 63.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -57.54 -43.28 84.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.79 -33.64 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.38 -29.15 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -76.38 -37.34 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.782 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.45 -41.47 85.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.557 ' HB ' HD21 ' A' ' 43' ' ' LEU . 29.6 mt -72.55 -46.83 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -132.45 72.97 77.63 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.0 -63.01 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.547 2.165 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 p -60.16 139.82 91.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.86 155.63 17.55 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.503 2.136 . . . . 0.0 112.229 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 32.8 p-10 -155.61 75.32 5.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.27 -25.5 65.29 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.593 2.195 . . . . 0.0 112.073 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.79 -23.84 41.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HB1' ' SD ' ' A' ' 40' ' ' MET . . . -71.45 -36.07 71.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.133 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -57.07 -29.29 63.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -84.29 -25.53 29.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.51 136.26 52.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -70.75 -32.49 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.563 HH21 HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -56.24 -31.1 63.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.08 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.762 ' CE ' HD13 ' A' ' 43' ' ' LEU . 8.5 tpt -55.07 -24.49 25.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -54.9 -28.44 50.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.565 ' HB2' HD21 ' B' ' 98' ' ' LEU . 7.1 m-80 -78.83 -33.75 45.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.762 HD13 ' CE ' ' A' ' 40' ' ' MET . 0.2 OUTLIER -60.63 -37.51 81.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.6 t -79.25 -58.14 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.93 -33.29 50.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.209 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.764 ' CE1' HG21 ' A' ' 50' ' ' VAL . 59.1 t80 -63.06 -52.89 61.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.778 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.53 -28.2 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -67.1 -39.19 86.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -80.79 -36.09 32.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.764 HG21 ' CE1' ' A' ' 46' ' ' TYR . 21.7 t -75.51 -45.79 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.453 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' OE1' HG13 ' A' ' 19' ' ' VAL . 12.2 pt-20 -49.08 -47.11 45.38 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.81 0.338 . . . . 0.0 110.294 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.6 77.15 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 178.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -78.5 -28.92 46.41 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.975 0.417 . . . . 0.0 110.251 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.406 ' HG2' HG12 ' A' ' 50' ' ' VAL . 33.6 mmt -77.41 -45.37 26.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.904 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.564 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -59.97 -54.29 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -41.49 62.24 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.8 t -46.97 -29.06 1.85 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.998 0.428 . . . . 0.0 111.4 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.507 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -93.13 134.59 35.13 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.645 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.459 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 22.2 m120 -95.98 -0.13 51.03 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 176.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.02 -178.53 6.54 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.576 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.18 -51.08 16.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -46.87 79.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.069 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -58.24 -30.25 66.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.787 ' CE2' HD13 ' A' ' 18' ' ' LEU . 12.9 t80 -74.06 -37.03 64.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.461 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -75.04 -28.43 60.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -73.42 -57.04 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.641 HD12 ' N ' ' A' ' 68' ' ' LEU . 3.9 pp -57.86 -36.51 72.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.08 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.747 HD13 HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -59.73 -36.08 75.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.19 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.17 -37.96 75.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -68.5 -55.77 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.643 179.771 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.782 HG23 ' HB2' ' A' ' 25' ' ' ALA . 5.7 mt -63.13 -32.49 56.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.417 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 30.5 t80 -75.13 -45.72 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -67.62 -46.92 71.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 71' ' ' LYS . 11.3 mt -66.8 -31.42 53.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -59.68 -49.42 77.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 73' ' ' TYR . 25.3 mtpt -77.52 -27.17 51.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.13 -40.59 70.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.23 -30.38 66.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.94 -31.48 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.02 -31.32 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -30.85 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -64.44 -50.76 66.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.48 -3.31 46.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.404 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.4 t -63.14 -11.93 23.87 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -141.59 -14.2 0.85 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.297 0.57 . . . . 0.0 111.924 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.309 -1.156 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.894 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 23.0 m -100.05 159.21 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.51 -99.83 0.31 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 81.7 p -76.03 -74.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 20.6 t70 60.1 85.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -128.91 30.21 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.44 -28.72 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.545 ' O ' HD13 ' B' ' 99' ' ' LEU . 3.0 mt -54.9 -36.05 64.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 96.9 p -78.13 -31.18 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -78.62 -31.15 46.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.565 HD21 ' HB2' ' A' ' 42' ' ' ASN . 4.1 mt -79.81 -50.53 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 95' ' ' LEU . 4.4 mp -60.44 -41.48 94.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.46 -31.23 69.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.71 -39.84 94.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 28.5 p -74.22 -45.59 47.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.76 68.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 43.0 ttm -71.26 -35.1 71.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -82.58 160.69 22.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' HG13 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 1' ' ' GLY . 18.8 m -157.02 -179.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.089 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.75 163.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.5 ' HD3' ' HB2' ' A' ' 59' ' ' ASN . 1.4 mtmm -49.62 160.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.269 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.88 64.93 1.88 Allowed Glycine 0 C--N 1.332 0.345 0 N-CA-C 107.152 -2.379 . . . . 0.0 107.152 175.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.737 ' CZ2' ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -85.65 -64.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -64.19 -13.24 47.43 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.983 -177.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -44.5 -53.68 6.75 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -177.609 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.419 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 21.6 t-160 -133.35 40.68 3.15 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.619 HG22 ' HE ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -103.67 -54.74 6.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.551 -0.46 . . . . 0.0 109.888 177.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 p 55.61 167.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.3 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -74.31 -33.22 63.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.08 -56.07 25.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.624 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -63.61 -40.42 96.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 19' ' ' VAL . 38.0 ttp85 -62.24 -52.92 61.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.1 m -57.71 -29.76 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.9 -30.32 65.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.816 HD22 ' CE2' ' A' ' 64' ' ' TYR . 1.2 mp -81.27 -30.24 34.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 15' ' ' ARG . 46.7 t -57.54 -41.02 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -60.76 -27.57 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HG3' HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -56.87 -43.44 81.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.821 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.09 -39.34 89.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.5 -28.54 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.05 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -74.44 -33.95 63.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 1.055 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -59.89 -41.09 90.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.991 HD12 HD21 ' A' ' 43' ' ' LEU . 35.1 mt -81.04 -31.31 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.63 77.74 16.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.63 -62.05 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.39 147.94 94.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.47 146.61 44.84 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.517 2.145 . . . . 0.0 112.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -149.5 81.06 7.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.64 -19.06 43.52 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.591 2.194 . . . . 0.0 112.308 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.45 -26.27 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.94 -26.5 59.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.93 -29.41 42.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -96.43 -28.91 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.45 140.22 54.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -59.96 -30.08 68.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.523 ' NH2' HD12 ' A' ' 43' ' ' LEU . 2.1 tmm_? -51.19 -52.74 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -29.29 67.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.7 -32.86 63.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -79.89 -31.61 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.991 HD21 HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -63.74 -43.45 96.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.1 t -58.39 -58.81 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.81 -34.51 71.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.445 ' CE2' HG21 ' A' ' 50' ' ' VAL . 79.7 t80 -64.24 -54.7 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.682 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.24 -29.7 64.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.061 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -34.56 78.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -39.08 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.57 HG12 ' HG2' ' A' ' 54' ' ' MET . 21.4 t -75.48 -43.46 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.327 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -49.7 -43.68 47.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.868 0.366 . . . . 0.0 110.215 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.19 -32.46 84.23 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.38 -29.14 47.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 0.0 110.123 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.57 ' HG2' HG12 ' A' ' 50' ' ' VAL . 30.7 mmt -79.91 -32.26 40.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.819 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.596 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 15.7 t80 -76.44 -23.93 53.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.38 -30.66 18.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.655 0.264 . . . . 0.0 111.424 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.432 ' OG ' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -49.84 -28.04 5.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.013 0.435 . . . . 0.0 110.766 179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.737 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . . . -90.29 134.49 34.27 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.99 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.5 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 1.1 p-10 -104.55 5.18 33.7 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.26 173.64 13.74 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.77 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.619 ' HE ' HG22 ' A' ' 10' ' ' VAL . 1.5 tpm_? -67.91 -60.61 2.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -50.7 -42.4 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.565 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' HB3' ' HB1' ' A' ' 58' ' ' ALA . 6.7 tp10 -52.59 -48.81 66.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.12 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.816 ' CE2' HD22 ' A' ' 18' ' ' LEU . 24.3 t80 -55.75 -29.12 59.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.78 -55.72 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.199 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -49.03 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.432 HD11 ' OG ' ' A' ' 57' ' ' SER . 6.0 tt -53.8 -57.67 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.328 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.721 HD13 HD23 ' A' ' 18' ' ' LEU . 7.9 tt -52.81 -26.88 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.299 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.89 -40.25 65.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.038 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -60.52 -46.94 88.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.787 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HD3' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -59.31 -55.76 30.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.737 179.783 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.055 HG23 ' HB2' ' A' ' 25' ' ' ALA . 59.0 mt -63.31 -31.79 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -67.41 -48.59 66.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.72 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -67.28 -45.55 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' A' ' 71' ' ' LYS . 10.4 mt -63.86 -37.2 79.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.17 -33.77 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.827 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -77.41 -31.08 53.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.89 -35.44 80.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.605 ' HA ' HD23 ' B' ' 99' ' ' LEU . 67.2 tp -58.34 -31.53 67.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.1 -30.78 68.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -32.21 72.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -65.52 -33.48 76.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.28 -49.37 77.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -79.78 -3.43 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.372 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -62.1 -13.58 28.06 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 109.994 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -138.97 -13.63 1.21 Allowed 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.397 0.617 . . . . 0.0 111.8 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.312 -1.039 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.93 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t 68.33 -68.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.804 0.335 . . . . 0.0 111.056 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.37 173.13 47.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 17.4 p -101.22 153.47 19.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.2 126.34 27.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -101.39 -35.5 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -28.81 48.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 5.5 tt -55.44 -38.96 69.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 26.2 t -78.08 -30.94 49.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.85 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.79 -30.74 65.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 mt -75.89 -36.9 59.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 79' ' ' LEU . 1.1 mp -72.61 -37.82 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.8 -32.41 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.423 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 83.1 t80 -59.69 -38.87 82.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -77.11 -31.98 56.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.55 -31.36 42.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -60.08 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -107.65 148.55 29.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.905 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.523 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.5 t -125.27 170.68 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.523 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -128.64 34.36 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.528 ' O ' ' C ' ' A' ' 5' ' ' GLY . 2.7 mtmm 61.63 4.08 0.97 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.583 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 33.65 43.47 0.27 Allowed Glycine 0 C--N 1.348 1.222 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.707 ' HZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -80.47 -64.34 1.21 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -175.571 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -80.12 -13.02 59.6 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -176.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.82 -40.52 4.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.65 -178.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.804 ' O ' HD13 ' A' ' 14' ' ' LEU . 2.5 m80 -133.57 20.21 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.758 HG22 ' HG3' ' A' ' 61' ' ' ARG . 15.7 t -114.37 93.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -126.81 -173.56 2.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.112 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -64.01 -42.63 97.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.086 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.58 -42.41 82.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.029 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.804 HD13 ' O ' ' A' ' 9' ' ' HIS . 0.4 OUTLIER -77.13 -31.22 55.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.081 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.761 ' O ' HG23 ' A' ' 19' ' ' VAL . 12.2 ttm105 -71.97 -30.6 65.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -58.29 -30.71 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -75.65 -31.26 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.613 HD21 ' CE1' ' A' ' 65' ' ' TYR . 6.2 mt -78.46 -37.35 43.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 15' ' ' ARG . 33.0 t -59.87 -49.76 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -65.2 -32.44 74.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' O ' HD13 ' A' ' 72' ' ' ILE . 17.3 mttt -62.98 -44.72 95.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -31.76 71.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 19' ' ' VAL . 22.0 t -76.51 -30.79 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.41 ' HG3' ' HA ' ' A' ' 28' ' ' PRO . 1.4 tt0 -62.73 -28.47 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.684 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.54 -62.65 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.199 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.7 HD13 HD21 ' A' ' 43' ' ' LEU . 3.7 mp -68.28 -32.56 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.246 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.73 79.77 27.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 34.7 Cg_exo -59.66 -64.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.646 2.231 . . . . 0.0 112.391 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -67.42 157.52 85.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.52 160.75 47.96 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.736 2.291 . . . . 0.0 112.176 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -165.75 86.23 0.97 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.732 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 19.7 Cg_endo -60.55 -25.05 79.86 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.491 2.128 . . . . 0.0 112.104 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.68 -24.34 41.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.64 79.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt -57.26 -31.02 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -86.11 -24.07 26.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.41 135.23 56.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -30.04 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.69 ' NH2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.95 -39.81 82.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -29.61 64.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -33.56 67.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.752 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -80.0 -31.28 39.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.793 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.7 HD21 HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -59.8 -43.84 94.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.64 -58.7 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.053 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -33.41 64.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.642 ' O ' HG23 ' A' ' 50' ' ' VAL . 63.2 t80 -64.62 -51.62 61.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.702 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -28.15 69.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -72.9 -34.17 66.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.86 -37.93 29.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.014 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.0 t -75.51 -44.79 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -49.62 -43.79 46.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.848 0.356 . . . . 0.0 110.139 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.82 82.06 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.385 -0.912 . . . . 0.0 110.902 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -28.77 46.69 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.056 0.455 . . . . 0.0 110.16 178.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.478 ' HG2' HG12 ' A' ' 50' ' ' VAL . 35.1 mmt -74.88 -33.26 62.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.69 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.707 ' O ' ' HZ2' ' A' ' 6' ' ' TRP . 5.9 t80 -70.01 -54.66 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.557 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -52.62 -22.92 5.59 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.688 ' HB3' HD22 ' A' ' 67' ' ' LEU . 3.8 t -72.16 -21.68 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.475 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . . . -103.48 129.57 50.67 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.498 ' O ' ' O ' ' A' ' 4' ' ' LYS . 2.4 p-10 -81.02 -3.83 53.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.452 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 10.6 t -152.56 -179.81 7.93 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.656 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.758 ' HG3' HG22 ' A' ' 10' ' ' VAL . 1.3 ttp180 -74.32 -43.67 55.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.01 -54.76 38.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.71 -28.97 67.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.506 ' HA ' HD21 ' A' ' 67' ' ' LEU . 13.9 t80 -70.74 -33.03 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.613 ' CE1' HD21 ' A' ' 18' ' ' LEU . 1.6 m-85 -77.66 -31.58 52.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.37 -51.42 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 57' ' ' SER . 4.3 pp -59.89 -29.31 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.678 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -70.1 -37.66 75.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.95 -43.08 96.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.67 -40.84 84.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -66.04 -55.77 14.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.684 HG23 ' HB2' ' A' ' 25' ' ' ALA . 42.9 mt -64.02 -31.28 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -71.89 -53.39 13.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.67 -45.66 91.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.3 mt -68.4 -30.06 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -43.06 91.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -77.3 -30.64 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.69 -28.8 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.678 HD12 ' HG ' ' B' ' 99' ' ' LEU . 10.7 tp -57.89 -32.22 67.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.81 -31.56 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -70.34 -31.27 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -63.39 -31.42 72.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -43.93 41.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.74 -3.28 46.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.405 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.5 p -66.39 -9.1 30.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.712 0.292 . . . . 0.0 110.277 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -142.44 -13.91 0.78 Allowed 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.297 0.57 . . . . 0.0 112.065 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 C--N 1.309 -1.158 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.855 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 44.3 p -132.07 170.79 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -104.76 152.58 17.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 23.2 p -136.99 160.6 38.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.966 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.26 97.4 3.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -106.82 -30.89 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -28.64 67.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.531 HD23 ' C ' ' B' ' 95' ' ' LEU . 8.5 tt -55.66 -35.75 66.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 80.9 p -78.09 -31.67 50.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.72 -34.78 76.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.445 HD23 ' HG2' ' A' ' 39' ' ' ARG . 42.0 mt -75.79 -31.54 59.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.678 ' HG ' HD12 ' A' ' 79' ' ' LEU . 7.7 tp -75.35 -31.93 60.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -60.85 -33.32 72.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -60.69 -40.51 92.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -73.53 -31.84 63.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.31 67.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 20.5 ttt -77.62 -44.29 28.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -104.31 106.09 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.428 ' C ' HG23 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.5 t 60.38 170.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.756 0.312 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.531 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -123.64 35.55 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.857 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.2 mtmm 61.02 7.24 1.46 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.408 -0.329 . . . . 0.0 111.64 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 31.63 45.84 0.17 Allowed Glycine 0 C--N 1.348 1.25 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.738 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.28 -64.67 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.141 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 17.3 t-80 -80.67 -13.81 58.7 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.72 -45.68 9.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.448 ' CD2' ' NH1' ' A' ' 61' ' ' ARG . 1.2 t60 -132.04 23.88 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.687 HG22 ' HG3' ' A' ' 61' ' ' ARG . 56.5 t -105.1 -52.26 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.429 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 3.8 p 54.47 168.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.401 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -37.72 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.08 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.54 -55.99 27.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.17 -31.2 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.881 ' O ' HG23 ' A' ' 19' ' ' VAL . 41.4 ttt180 -65.08 -41.22 95.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -69.78 -31.08 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.94 -30.8 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 68' ' ' LEU . 16.5 mt -79.55 -31.78 42.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 15' ' ' ARG . 44.9 t -59.66 -32.43 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -61.48 -31.67 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.602 ' HB3' HD13 ' A' ' 72' ' ' ILE . 6.4 mmpt? -64.34 -45.46 87.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.765 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -39.63 84.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -72.64 -29.21 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -79.79 -27.18 40.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.899 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.05 -56.97 15.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.258 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.42 ' CD1' HD21 ' A' ' 43' ' ' LEU . 14.9 mt -65.55 -30.45 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CD2' ' OD2' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -147.43 84.81 7.01 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.748 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -74.03 -45.55 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.56 2.173 . . . . 0.0 112.579 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.7 141.5 84.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.98 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.82 152.24 29.46 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.429 2.086 . . . . 0.0 112.279 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.408 ' OD2' ' CD2' ' A' ' 27' ' ' PHE . 12.8 p30 -158.64 75.58 3.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.77 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.45 -27.07 74.54 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.515 2.143 . . . . 0.0 112.058 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.75 -23.12 42.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.03 -36.63 72.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.52 -30.26 62.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.77 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -84.02 -23.68 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.776 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.02 143.34 52.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -30.41 63.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.501 ' NH1' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.62 -32.31 72.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.914 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.533 ' HE3' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -59.68 -30.47 68.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.95 -31.21 64.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.71 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -79.95 -30.36 39.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.77 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD13 ' HE3' ' A' ' 40' ' ' MET . 0.5 OUTLIER -58.52 -42.95 88.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.39 -58.65 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -36.52 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -61.13 -52.36 65.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.712 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.03 70.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -69.94 -30.85 68.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -76.77 -39.2 52.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -75.49 -50.83 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.196 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' OE1' HG13 ' A' ' 19' ' ' VAL . 13.1 pt-20 -49.29 -44.42 44.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.933 0.397 . . . . 0.0 110.196 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.54 -30.35 76.29 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.299 -0.953 . . . . 0.0 110.883 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.42 -30.34 57.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.924 0.392 . . . . 0.0 110.215 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.469 ' HB3' HD11 ' A' ' 67' ' ' LEU . 5.6 mmt -67.07 -30.82 70.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.786 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.738 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 46.6 t80 -77.83 -22.48 49.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.194 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.35 -26.05 20.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.59 -45.34 45.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 0.0 111.209 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.653 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -73.19 126.91 31.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.605 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.524 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 5.6 m120 -89.72 3.64 52.14 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -160.14 156.74 27.22 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.46 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.687 ' HG3' HG22 ' A' ' 10' ' ' VAL . 8.2 ttp180 -56.51 -39.92 74.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -53.36 -54.81 31.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.993 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.559 ' HG3' HD23 ' A' ' 67' ' ' LEU . 8.5 tp10 -61.94 -38.77 89.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.58 ' HA ' HD21 ' A' ' 67' ' ' LEU . 33.1 t80 -57.86 -37.96 74.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.769 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.454 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -77.74 -29.02 50.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -75.41 -53.25 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.653 HD21 ' HB2' ' A' ' 58' ' ' ALA . 3.4 pp -58.35 -30.48 66.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.987 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.8 HD22 HD22 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -67.12 -46.97 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.893 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.86 89.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.89 -41.71 83.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' O ' HD12 ' A' ' 75' ' ' ILE . 11.4 mmmt -65.07 -55.77 16.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.748 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 25' ' ' ALA . 6.4 mt -63.47 -31.28 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -72.22 -57.18 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -57.9 -47.74 81.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.504 HD12 ' O ' ' A' ' 71' ' ' LYS . 18.7 mt -64.87 -30.31 49.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -66.45 -36.38 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -29.16 52.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -30.13 65.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -37.12 76.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.76 -31.67 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.27 -30.37 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -31.39 68.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -70.93 -48.32 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.82 -3.32 47.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.365 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.9 t -63.65 -11.61 26.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 0.0 110.187 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -141.64 -14.13 0.85 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.402 0.62 . . . . 0.0 112.039 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--N 1.311 -1.096 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.906 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -104.69 177.36 4.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -138.18 -129.99 2.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.51 169.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -93.22 160.86 14.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -132.23 -49.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -70.43 -28.93 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 tp -55.62 -35.7 66.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.814 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.14 -31.51 49.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -67.82 -38.24 82.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.424 HD22 ' HG ' ' A' ' 43' ' ' LEU . 33.1 mt -75.61 -31.82 60.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.27 -43.75 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.95 -29.87 68.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.411 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 5.5 t80 -58.61 -33.65 70.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.4 m -79.75 -31.69 41.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.27 -47.79 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -31.45 72.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -122.59 100.63 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.939 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 m -125.53 173.58 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -139.19 140.99 37.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -53.4 161.67 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.214 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.84 60.55 2.55 Favored Glycine 0 C--N 1.334 0.467 0 N-CA-C 107.401 -2.279 . . . . 0.0 107.401 175.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.727 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -81.27 -64.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -175.109 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 11' ' ' THR . 64.6 t-80 -76.41 -13.51 60.12 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.275 -177.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.7 -53.14 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.77 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . 12.3 m170 -124.54 21.79 8.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.607 HG22 ' HG3' ' A' ' 61' ' ' ARG . 53.4 t -104.81 -53.64 6.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.429 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 1.3 p 52.93 164.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.696 178.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -74.89 -48.59 23.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.7 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.32 -56.28 21.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.812 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.457 HD23 ' C ' ' A' ' 14' ' ' LEU . 7.3 tt -62.58 -29.53 70.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.901 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 19' ' ' VAL . 9.1 ttm180 -64.98 -31.07 72.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.662 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -34.63 73.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -64.38 -38.02 89.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.746 HD22 ' CE2' ' A' ' 64' ' ' TYR . 4.4 mp -71.01 -28.95 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 15' ' ' ARG . 40.6 t -64.09 -27.36 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -72.2 -30.32 64.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -57.56 -43.74 84.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' HA ' HD11 ' A' ' 72' ' ' ILE . 9.5 mt -60.56 -33.12 72.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.761 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.1 t -77.28 -28.84 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.124 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -31.99 67.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.839 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -60.26 -58.0 10.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.719 ' HA ' HD12 ' B' ' 99' ' ' LEU . 12.3 mt -67.11 -39.59 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CZ ' ' CB ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -134.64 77.48 58.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.93 -47.56 0.57 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.55 2.167 . . . . 0.0 112.445 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.34 149.9 97.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.003 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.02 146.6 71.57 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.704 2.27 . . . . 0.0 112.278 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.438 ' CB ' ' CZ ' ' A' ' 27' ' ' PHE . 7.3 t70 -167.57 90.21 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.791 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.49 -22.7 75.17 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.064 . . . . 0.0 112.141 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.52 -25.78 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.99 95.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 mt -57.95 -26.45 62.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.647 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.21 -22.79 20.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.16 137.08 57.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.873 0.368 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -44.35 96.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.585 ' NH1' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -55.99 -28.99 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.145 -179.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.49 ' SD ' HD13 ' A' ' 43' ' ' LEU . 5.0 tpp -59.41 -25.44 64.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.85 -29.63 63.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -79.89 -31.23 40.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.585 HD12 ' NH1' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -59.92 -41.68 92.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 t -63.07 -58.75 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.8 69.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.807 ' OH ' HD13 ' B' ' 95' ' ' LEU . 28.4 t80 -62.29 -51.4 67.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.773 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.98 -32.22 73.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.039 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -62.44 -31.09 71.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -74.99 -43.31 54.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.36 -52.44 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -49.94 -43.65 50.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.937 0.398 . . . . 0.0 110.138 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.16 -30.92 79.08 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.0 -28.69 49.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 0.0 110.287 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 35.5 mmt -67.3 -32.49 73.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.801 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.727 ' O ' ' CZ2' ' A' ' 6' ' ' TRP . 45.1 t80 -77.63 -22.98 49.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.229 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.56 -32.67 16.2 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.196 -0.315 . . . . 0.0 111.553 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.401 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -67.25 -50.34 60.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.324 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.535 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -72.57 129.47 38.36 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.909 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.485 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.2 m-20 -96.38 4.83 51.95 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.5 t -152.14 161.4 42.69 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.607 ' HG3' HG22 ' A' ' 10' ' ' VAL . 12.2 ttp180 -59.97 -51.14 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -51.94 -50.19 61.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -61.33 -37.85 84.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.746 ' CE2' HD22 ' A' ' 18' ' ' LEU . 26.1 t80 -60.6 -42.89 97.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.704 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.552 ' CE2' HD11 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -77.73 -28.54 50.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.122 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.84 -57.09 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.367 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.897 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -53.63 -27.65 28.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.214 -179.659 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.897 ' N ' HD23 ' A' ' 67' ' ' LEU . 3.6 tt -72.6 -31.87 65.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.839 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.97 85.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -38.84 79.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' HD12 ' A' ' 75' ' ' ILE . 4.2 mtpp -68.58 -55.8 10.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.769 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.839 HG23 ' HB2' ' A' ' 25' ' ' ALA . 27.5 mm -63.64 -31.67 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -66.42 -55.13 17.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.658 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -61.73 -44.64 96.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.1 mt -68.8 -31.08 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -59.68 -42.45 92.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -77.49 -28.14 52.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.82 -27.92 63.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.57 HD21 ' HA ' ' B' ' 103' ' ' ALA . 1.2 tt -56.55 -31.36 64.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.066 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.56 -29.09 70.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -82.49 -26.84 32.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.63 ' CG ' HD23 ' B' ' 99' ' ' LEU . 0.3 OUTLIER -58.47 -46.02 87.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.997 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -64.75 -45.72 85.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.98 -3.37 51.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.5 t -66.74 -9.54 37.74 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.3 mmm-85 -139.75 -14.47 1.07 Allowed 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.257 0.551 . . . . 0.0 111.921 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--N 1.309 -1.165 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.911 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 8.9 p -137.2 -178.11 5.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.499 ' C ' ' HG1' ' B' ' 91' ' ' THR . . . -140.87 29.03 2.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.529 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.499 ' HG1' ' C ' ' B' ' 90' ' ' GLY . 62.9 p 52.87 -86.23 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.543 0.211 . . . . 0.0 111.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' B' ' 90' ' ' GLY . 1.7 t0 60.77 36.03 19.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -97.61 -29.79 13.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -58.71 -28.27 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.807 HD13 ' OH ' ' A' ' 46' ' ' TYR . 19.2 tp -55.62 -36.38 66.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.824 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 10.5 m -78.0 -31.24 50.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -66.41 -52.89 41.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.5 ' HB3' HG21 ' A' ' 26' ' ' ILE . 9.2 mt -60.03 -36.4 77.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 26' ' ' ILE . 1.1 tp -71.27 -30.95 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.84 -31.83 73.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.412 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 8.5 t80 -59.66 -46.11 90.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -83.26 -37.25 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . 0.57 ' HA ' HD21 ' A' ' 79' ' ' LEU . . . -61.45 -37.08 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.6 ttp -65.85 -59.35 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.34 129.48 53.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.892 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 m -132.5 176.12 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.33 153.56 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -53.94 159.49 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.976 179.497 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.89 64.77 1.9 Allowed Glycine 0 C--N 1.333 0.382 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 175.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.67 ' CE3' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.95 -65.22 1.04 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -174.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -61.67 -12.76 17.78 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.757 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 1.3 pt-20 -43.73 -50.64 7.59 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -134.39 36.17 3.19 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.67 HG21 ' CE3' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -114.98 -42.71 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 10' ' ' VAL . 2.4 p 48.61 175.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.848 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -75.01 -48.51 23.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.828 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.52 -56.46 5.34 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' ' 10' ' ' VAL . 8.1 tt -53.63 -29.57 38.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.106 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -65.42 -31.83 73.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.717 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -31.72 71.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -61.3 -30.95 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.52 HD21 ' CE2' ' A' ' 65' ' ' TYR . 4.8 mp -78.87 -31.31 45.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -60.71 -34.61 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -62.33 -27.5 69.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -56.46 -44.53 80.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 26' ' ' ILE . 36.5 mt -60.34 -41.41 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.709 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.19 -29.72 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -78.44 -26.84 46.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' HB2' HG12 ' A' ' 72' ' ' ILE . . . -57.07 -61.5 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.165 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.703 HD13 HD21 ' A' ' 43' ' ' LEU . 3.7 mp -66.15 -30.76 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.41 82.84 13.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.45 -63.16 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.6 2.2 . . . . 0.0 112.346 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 p -66.97 149.31 98.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.75 146.68 48.96 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.538 2.159 . . . . 0.0 112.258 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -154.61 85.68 3.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HA ' HD23 ' A' ' 35' ' ' LEU . 17.8 Cg_endo -59.82 -18.73 50.67 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.601 2.201 . . . . 0.0 112.271 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.84 -28.01 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.733 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.631 ' HB1' ' NH2' ' A' ' 39' ' ' ARG . . . -72.08 -26.02 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.012 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 32' ' ' PRO . 2.9 mm? -55.92 -35.96 67.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -83.37 -29.56 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.84 142.86 39.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -26.52 65.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.654 ' HD2' HD22 ' B' ' 98' ' ' LEU . 5.4 tmm_? -53.99 -48.05 70.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.679 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -57.14 -29.32 63.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.76 -42.44 75.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.599 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -79.96 -32.33 39.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.78 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.703 HD21 HD13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -60.53 -44.77 95.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 40' ' ' MET . 32.6 t -60.1 -59.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.04 69.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.62 ' O ' HG23 ' A' ' 50' ' ' VAL . 74.3 t80 -70.25 -53.99 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.802 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.86 -28.24 69.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -71.31 -35.7 71.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -80.8 -38.06 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 46' ' ' TYR . 21.9 t -75.55 -44.87 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.407 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -49.05 -43.16 40.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.902 0.382 . . . . 0.0 110.361 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.98 -32.29 83.72 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.38 -0.914 . . . . 0.0 110.912 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -78.52 -28.16 46.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.009 0.433 . . . . 0.0 110.322 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.408 ' HB3' HD12 ' A' ' 68' ' ' LEU . 27.5 mmt -71.82 -46.18 59.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.963 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.563 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -60.33 -54.41 46.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.04 -40.62 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.89 -28.67 2.77 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.962 0.41 . . . . 0.0 111.272 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.517 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -92.91 133.75 35.79 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.696 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.476 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.6 m120 -95.44 0.08 52.94 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 m -150.03 175.91 11.27 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.661 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.617 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.26 -50.38 19.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.2 -45.96 75.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.68 -40.98 94.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.482 ' CE2' HD22 ' A' ' 18' ' ' LEU . 9.8 t80 -59.74 -32.63 70.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.52 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -73.98 -55.48 6.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -65.82 -44.91 84.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.536 HD23 ' C ' ' A' ' 67' ' ' LEU . 8.2 tt -60.72 -55.33 34.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.441 HD21 HD11 ' A' ' 72' ' ' ILE . 5.6 tt -57.09 -28.57 62.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.25 68.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.154 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.26 -43.57 83.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.65 ' HE3' HD11 ' A' ' 75' ' ' ILE . 4.4 mmmt -61.8 -55.86 25.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.687 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.441 HD11 HD21 ' A' ' 68' ' ' LEU . 5.0 mt -60.8 -32.12 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.792 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -75.13 -43.36 53.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.811 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -72.18 -45.86 58.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.016 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.65 HD11 ' HE3' ' A' ' 71' ' ' LYS . 9.2 mt -64.97 -31.78 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.94 -47.28 86.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -70.07 -29.37 66.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.985 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.47 -24.98 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.623 ' HA ' HD23 ' B' ' 99' ' ' LEU . 7.0 mt -55.65 -27.58 50.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -33.21 75.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -62.85 -27.1 69.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -56.26 -29.24 60.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -49.16 71.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -3.25 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.375 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -67.32 -8.44 32.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.75 0.309 . . . . 0.0 110.334 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.52 -13.96 0.77 Allowed 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.229 0.538 . . . . 0.0 112.028 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.31 -1.137 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.887 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.79 -169.51 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.98 -40.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 7.5 p 56.76 168.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 60.01 174.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 69.43 -65.72 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.86 -26.92 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.422 ' O ' HD12 ' B' ' 99' ' ' LEU . 63.7 tp -55.06 -31.62 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.08 -31.36 50.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.8 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -65.22 -34.23 77.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.654 HD22 ' HD2' ' A' ' 39' ' ' ARG . 24.0 mt -69.96 -30.84 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' A' ' 79' ' ' LEU . 1.8 mp -71.76 -34.01 69.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.65 -32.04 64.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.427 ' CG ' ' NH1' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -59.91 -57.46 12.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -30.68 68.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.46 -30.45 66.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 1.6 ttm -82.78 -31.35 28.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -149.89 138.03 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.924 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.543 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.5 t -119.13 170.68 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.322 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.543 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -157.17 158.86 37.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.913 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.521 ' HD3' ' CD1' ' A' ' 6' ' ' TRP . 0.9 OUTLIER -56.83 163.24 2.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.429 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.21 64.64 2.03 Favored Glycine 0 C--N 1.333 0.416 0 N-CA-C 106.966 -2.454 . . . . 0.0 106.966 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.681 ' CZ2' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.62 -64.53 1.14 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -174.67 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.416 ' CE1' ' OH ' ' A' ' 55' ' ' TYR . 2.1 m-70 -63.28 -13.01 33.58 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.778 -1.101 . . . . 0.0 113.664 -176.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -43.78 -49.66 8.01 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.99 39.26 3.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.688 HG11 ' HE2' ' A' ' 55' ' ' TYR . 3.9 t -103.19 -62.89 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.97 0.414 . . . . 0.0 109.946 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p 56.26 168.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.124 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -74.42 -38.25 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.5 -56.04 24.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -37.72 79.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.898 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -62.23 -50.12 73.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -64.55 -29.51 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.015 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -73.59 -30.59 63.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.457 HD22 HD22 ' A' ' 68' ' ' LEU . 17.5 mt -81.42 -33.11 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.056 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 15' ' ' ARG . 24.2 t -59.08 -29.29 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.177 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -71.86 -30.05 65.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -59.15 -46.71 87.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.3 mp -60.11 -32.28 70.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.67 -30.79 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -25.12 54.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.921 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -56.74 -61.2 2.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.288 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.637 ' HB ' HD21 ' A' ' 43' ' ' LEU . 5.8 mt -61.78 -32.12 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.213 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.543 ' HE1' HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -143.42 84.96 9.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.73 -46.56 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.561 2.174 . . . . 0.0 112.402 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.605 HG21 ' O ' ' B' ' 106' ' ' SER . 0.5 OUTLIER -73.97 149.8 87.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.62 147.12 93.02 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.626 2.218 . . . . 0.0 112.262 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -153.83 78.47 5.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.704 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.48 -21.25 53.16 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.629 2.219 . . . . 0.0 112.204 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.18 -23.38 43.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.497 ' HB1' ' HE2' ' A' ' 40' ' ' MET . . . -69.03 -28.66 66.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.181 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.88 -36.03 71.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -82.45 -25.68 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.05 140.58 54.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.13 -25.57 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' NH2' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -56.39 -39.54 73.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.998 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.506 ' SD ' HD13 ' A' ' 43' ' ' LEU . 50.7 tpp -57.98 -29.12 64.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.79 -30.49 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.832 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -79.93 -29.9 39.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.637 HD21 ' HB ' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -57.83 -48.15 80.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.3 t -59.68 -59.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.047 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.48 80.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.798 ' OH ' HD13 ' B' ' 95' ' ' LEU . 23.5 t80 -61.25 -55.37 32.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.739 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.53 72.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -33.53 75.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -71.94 -43.91 64.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.779 HG12 ' SD ' ' A' ' 54' ' ' MET . 25.9 t -68.86 -55.09 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -44.13 54.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.399 . . . . 0.0 109.97 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.32 -31.18 78.38 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.25 -29.08 62.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.916 0.389 . . . . 0.0 110.071 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.779 ' SD ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -67.07 -34.26 77.29 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.692 179.776 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.688 ' HE2' HG11 ' A' ' 10' ' ' VAL . 37.5 t80 -76.26 -23.24 54.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.8 -35.04 15.06 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.923 0.392 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.733 ' OG ' HD11 ' A' ' 67' ' ' LEU . 2.2 p -67.59 -52.46 38.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.682 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.513 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -66.76 127.12 31.26 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.271 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 1.5 m-20 -94.12 4.9 53.25 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.3 p -153.49 165.23 36.49 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -65.71 -44.1 87.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -57.36 -53.39 58.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.681 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.14 -38.35 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.429 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.592 ' HA ' HD22 ' A' ' 67' ' ' LEU . 31.2 t80 -60.84 -39.16 88.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.613 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.447 ' CD1' ' NH1' ' A' ' 61' ' ' ARG . 0.8 OUTLIER -77.89 -32.02 51.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.221 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -80.82 -57.12 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.412 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.867 HD23 ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -59.09 -27.86 65.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.044 -179.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.867 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.6 tt -71.35 -31.3 67.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.809 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.91 -35.32 72.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.42 -41.21 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.492 ' O ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -64.43 -55.73 18.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.628 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.921 HG23 ' HB2' ' A' ' 25' ' ' ALA . 5.1 mt -62.67 -31.05 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.791 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -75.2 -51.84 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.718 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.97 -42.98 95.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 71' ' ' LYS . 13.2 mt -71.05 -29.88 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -49.13 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -77.53 -29.9 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -60.07 -29.71 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.989 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.688 ' HA ' HD22 ' B' ' 99' ' ' LEU . 9.5 tt -57.66 -30.65 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -64.73 -31.65 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -68.31 -30.87 69.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.29 -30.63 68.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -59.62 -49.16 78.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -3.29 47.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.357 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.4 t -66.89 -8.84 32.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.675 0.274 . . . . 0.0 110.266 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -142.04 -13.92 0.82 Allowed 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.31 0.576 . . . . 0.0 111.998 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.31 -1.113 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 38.5 t -140.25 91.78 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.78 -145.06 16.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.56 169.14 20.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.83 139.0 55.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -132.69 -46.71 0.88 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -75.84 -29.15 58.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.798 HD13 ' OH ' ' A' ' 46' ' ' TYR . 6.7 tp -55.5 -37.81 68.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.783 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 4.9 m -77.99 -30.95 50.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -75.45 -31.64 60.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 mp -79.94 -42.08 24.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.688 HD22 ' HA ' ' A' ' 79' ' ' LEU . 10.9 mt -60.25 -34.01 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.77 -51.66 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.14 -37.49 80.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -69.07 -39.12 79.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.04 63.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 2.0 mmt -62.48 -41.83 99.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -98.28 35.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.605 ' O ' HG21 ' A' ' 29' ' ' THR . 1.7 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.8 m -135.67 174.61 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.724 0.297 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -135.59 136.91 41.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -53.99 161.59 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -73.8 63.67 1.94 Allowed Glycine 0 C--N 1.334 0.427 0 N-CA-C 107.171 -2.372 . . . . 0.0 107.171 175.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.558 ' HZ3' HG11 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -85.81 -64.96 1.07 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -174.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.628 ' HA ' HG23 ' A' ' 10' ' ' VAL . 6.5 t60 -62.42 -13.15 26.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.47 -176.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -44.36 -51.39 8.57 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -177.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.463 ' HB3' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -133.12 40.21 3.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -111.21 -51.59 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 177.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 p 51.62 176.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.33 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -74.63 -44.37 50.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -58.72 -56.22 24.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.623 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -42.08 97.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.019 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.726 ' O ' HG23 ' A' ' 19' ' ' VAL . 6.9 tmm_? -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 t -78.28 -34.41 48.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -47.36 86.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.915 HD13 ' CE2' ' A' ' 64' ' ' TYR . 1.4 mt -60.55 -35.05 75.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 15' ' ' ARG . 46.7 t -58.65 -29.86 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -73.11 -28.52 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HD3' HD23 ' A' ' 18' ' ' LEU . 11.9 mtpt -57.72 -44.64 86.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.409 HD21 ' HG3' ' A' ' 54' ' ' MET . 2.0 mp -60.66 -32.36 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.7 t -73.0 -29.46 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.17 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -79.63 -30.36 41.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.728 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -57.26 -47.37 81.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.99 HD12 HD21 ' A' ' 43' ' ' LEU . 30.5 mt -74.01 -44.61 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.05 77.29 76.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.3 -62.46 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.606 2.204 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 79.8 p -68.91 154.76 94.59 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.38 154.7 45.84 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.71 92.03 1.41 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.69 -25.65 75.14 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.408 2.072 . . . . 0.0 112.176 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.75 -25.77 40.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.998 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.23 60.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.82 -31.04 68.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.71 -24.61 25.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.73 148.54 33.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -27.43 69.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.707 ' CD ' HD23 ' B' ' 98' ' ' LEU . 2.2 tmm_? -56.1 -46.24 79.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.013 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.421 ' CE ' HD13 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -54.45 -29.09 48.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -56.82 -39.1 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -79.88 -29.85 40.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.864 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.99 HD21 HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -58.17 -49.48 76.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.59 -59.15 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.1 82.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.704 ' O ' HG23 ' A' ' 50' ' ' VAL . 57.9 t80 -61.64 -52.95 62.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.57 -28.2 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -66.29 -36.48 83.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.02 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -80.72 -35.64 33.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.995 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 46' ' ' TYR . 23.5 t -75.52 -46.59 36.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.202 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' CD ' HG13 ' A' ' 19' ' ' VAL . 12.5 pt-20 -49.55 -46.31 48.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.288 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.02 -31.25 80.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.419 -0.896 . . . . 0.0 110.987 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -78.41 -28.81 46.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.95 0.405 . . . . 0.0 110.32 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.409 ' HG3' HD21 ' A' ' 22' ' ' LEU . 29.9 mmt -68.75 -41.12 79.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.53 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 7.6 t80 -64.65 -54.29 34.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.22 -40.47 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.28 -29.2 2.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.923 0.392 . . . . 0.0 111.354 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 64' ' ' TYR . . . -92.95 133.82 35.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.634 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 3.3 m-20 -95.6 0.33 52.73 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 176.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -151.16 173.89 13.88 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HG2' ' HB3' ' A' ' 9' ' ' HIS . 4.6 tpt180 -70.34 -55.94 7.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.788 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -50.05 -49.77 50.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.248 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -58.98 -40.78 85.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.915 ' CE2' HD13 ' A' ' 18' ' ' LEU . 9.7 t80 -58.66 -30.91 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD1' HD21 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.77 -55.55 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.943 -179.829 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -65.75 -30.84 71.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -74.68 -53.32 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.518 ' CD2' HD11 ' A' ' 72' ' ' ILE . 7.4 tt -57.67 -29.76 64.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.3 -30.44 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.06 -40.4 80.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.664 ' HE3' HD11 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -64.85 -55.85 16.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.728 HG23 ' HB2' ' A' ' 25' ' ' ALA . 5.7 mt -61.23 -32.33 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.805 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -75.07 -37.72 61.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.718 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -77.15 -46.34 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.664 HD11 ' HE3' ' A' ' 71' ' ' LYS . 7.8 mt -62.19 -44.17 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -60.23 -31.47 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.83 -31.48 68.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -67.99 -30.82 70.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.49 -30.69 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -66.18 -31.51 72.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.14 -42.36 62.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -69.36 -34.9 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -34.32 77.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -81.34 -3.21 51.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.384 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 t -66.53 -8.98 30.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.7 0.286 . . . . 0.0 110.278 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.0 tpt85 -142.46 -13.76 0.78 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.285 0.564 . . . . 0.0 112.047 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--N 1.31 -1.151 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.8 p -106.99 -31.43 8.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 160.89 -28.35 0.31 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.47 HG22 ' H ' ' B' ' 92' ' ' ASP . 0.2 OUTLIER 60.73 -177.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.93 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . 0.47 ' H ' HG22 ' B' ' 91' ' ' THR . 3.5 m-20 -60.72 145.88 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -109.98 -30.24 7.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.27 -27.24 63.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.563 HD12 ' N ' ' B' ' 96' ' ' SER . 3.8 pp -55.23 -31.81 61.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . 0.563 ' N ' HD12 ' B' ' 95' ' ' LEU . 0.8 OUTLIER -77.99 -33.08 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.3 -32.1 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.707 HD23 ' CD ' ' A' ' 39' ' ' ARG . 1.2 mt -67.57 -29.62 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.48 -31.38 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -61.39 -53.69 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.413 ' CE1' ' CE1' ' B' ' 105' ' ' PHE . 87.3 t80 -58.59 -30.16 66.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -77.06 -37.2 55.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.99 -32.37 34.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.26 -59.47 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.413 ' CE1' ' CE1' ' B' ' 101' ' ' PHE . 8.4 m-85 -62.8 -47.71 82.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.917 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.529 ' C ' HG23 ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.735 -0.146 . . . . 0.0 112.735 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.529 HG23 ' C ' ' A' ' 1' ' ' GLY . 1.4 t 65.32 170.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.845 0.355 . . . . 0.0 110.93 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.517 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -135.54 41.16 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.571 ' O ' ' C ' ' A' ' 5' ' ' GLY . 7.1 mtmm 59.71 8.27 1.27 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 119.432 -0.318 . . . . 0.0 111.572 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' LYS . . . 30.31 47.37 0.13 Allowed Glycine 0 C--N 1.347 1.17 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.607 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -81.34 -64.42 1.19 Allowed 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -175.202 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -72.95 -12.24 60.88 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -53.32 5.75 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.412 ' HB3' ' NE ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -137.93 33.57 2.4 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -178.112 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.893 HG22 ' HG2' ' A' ' 61' ' ' ARG . 9.7 t -100.46 -62.57 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.859 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p 55.55 168.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.148 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -74.47 -37.99 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.146 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.23 -56.18 18.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.218 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -61.68 -35.05 76.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.83 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.909 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.4 ttt180 -70.55 -36.32 73.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.8 p -59.72 -32.69 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -72.98 -34.19 66.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.85 HD22 ' CE2' ' A' ' 64' ' ' TYR . 4.0 mp -76.88 -31.27 56.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 15' ' ' ARG . 26.5 t -61.64 -32.9 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.095 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -28.36 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.491 ' HB3' HD13 ' A' ' 72' ' ' ILE . 23.8 mttt -57.63 -45.5 85.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.561 ' CD1' HD11 ' A' ' 68' ' ' LEU . 2.9 mp -60.18 -32.02 70.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.24 -30.46 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -80.74 -35.24 33.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.888 ' HB2' HG23 ' A' ' 72' ' ' ILE . . . -58.16 -42.86 86.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.535 ' CD1' HD21 ' A' ' 43' ' ' LEU . 30.8 mt -74.5 -47.8 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.409 ' CE2' ' OD2' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -128.69 71.88 81.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.93 -62.42 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.599 2.2 . . . . 0.0 112.391 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.1 p -59.69 154.35 46.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.95 153.35 68.15 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.634 2.222 . . . . 0.0 112.313 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' CE2' ' A' ' 27' ' ' PHE . 9.5 p30 -153.57 85.43 4.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.59 -27.12 84.28 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.462 2.108 . . . . 0.0 112.07 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.66 -24.97 41.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.91 89.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.41 -29.01 61.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -89.09 -24.89 22.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.42 138.19 57.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -73.16 -30.87 63.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.596 ' NH1' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -60.84 -35.27 76.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 tpp -60.52 -28.6 68.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.65 -31.43 64.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -79.89 -30.53 40.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.596 HD12 ' NH1' ' A' ' 39' ' ' ARG . 0.4 OUTLIER -58.45 -42.41 87.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -59.67 -59.1 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.55 73.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.755 ' OH ' HD12 ' B' ' 95' ' ' LEU . 15.9 t80 -60.53 -46.89 88.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.48 -28.21 63.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -69.95 -32.97 71.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.088 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -80.77 -39.16 27.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 46' ' ' TYR . 22.9 t -75.49 -44.64 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.378 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -49.35 -43.6 43.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.84 0.353 . . . . 0.0 110.227 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.74 -32.52 84.45 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.47 -30.03 47.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.99 0.424 . . . . 0.0 110.14 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.503 ' HG2' HG12 ' A' ' 50' ' ' VAL . 29.1 mmt -74.58 -31.61 62.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.779 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE2' ' CZ3' ' A' ' 6' ' ' TRP . 2.1 t80 -72.48 -54.68 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.613 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.27 -24.62 63.4 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.3 -23.23 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.654 0.264 . . . . 0.0 111.65 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' CE2' ' A' ' 6' ' ' TRP . . . -97.33 127.17 43.06 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.518 ' O ' ' O ' ' A' ' 4' ' ' LYS . 3.3 p-10 -81.88 -4.11 55.74 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.456 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 9.0 m -145.45 176.49 9.55 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.893 ' HG2' HG22 ' A' ' 10' ' ' VAL . 4.8 tmm_? -74.29 -54.61 7.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.998 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.18 -43.1 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.124 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.06 -38.81 77.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.85 ' CE2' HD22 ' A' ' 18' ' ' LEU . 22.4 t80 -63.41 -30.45 71.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.753 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -49.05 24.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -74.42 -32.45 62.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.1 tt -70.51 -53.32 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.586 HD22 HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -57.49 -35.83 70.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.026 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -30.25 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.21 -46.42 90.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' O ' HG12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -62.35 -56.6 16.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.907 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.888 HG23 ' HB2' ' A' ' 25' ' ' ALA . 4.2 mt -58.91 -28.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.158 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.61 -44.55 42.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.797 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.557 ' HD2' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -79.16 -40.09 31.81 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -178.569 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.783 HG13 ' HB1' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -74.53 -29.58 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.051 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.429 ' NE2' HG22 ' A' ' 72' ' ' ILE . 7.0 mt-30 -59.88 -57.97 10.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.393 . . . . 0.0 110.722 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -59.91 -28.85 67.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.14 -29.55 65.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.002 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -58.7 -38.71 78.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.35 -40.42 95.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.49 -31.12 69.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -75.26 -31.05 60.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.439 ' HA ' ' HB1' ' B' ' 103' ' ' ALA . 1.0 OUTLIER -64.11 -42.1 97.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.73 -3.35 47.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.408 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -9.55 30.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -142.41 -13.71 0.78 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.277 0.56 . . . . 0.0 112.041 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.31 -1.151 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.926 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 62.1 m 60.49 95.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -105.06 80.12 0.29 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.37 169.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.76 164.66 12.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.72 -50.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -28.63 56.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.987 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.755 HD12 ' OH ' ' A' ' 46' ' ' TYR . 8.6 tt -55.4 -36.68 66.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.839 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.9 p -78.05 -31.26 50.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -69.63 -32.16 70.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.557 HD22 ' HG ' ' A' ' 43' ' ' LEU . 82.6 mt -71.2 -37.48 72.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 2.9 mp -78.65 -39.88 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.79 -30.84 69.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.417 ' CD2' ' HD3' ' A' ' 39' ' ' ARG . 11.6 t80 -59.04 -53.25 60.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -62.33 -32.32 73.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . 0.439 ' HB1' ' HA ' ' A' ' 83' ' ' ARG . . . -73.04 -31.69 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 26.3 mmm -86.69 -52.59 5.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.68 165.43 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.918 179.937 . . . . . . . . 0 0 . 1 stop_ save_