data_2kmz_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 2kmz _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 ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t 48.13 -171.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.328 . . . . 0.0 111.287 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.9 t -160.33 140.96 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.1 t-105 -75.48 164.52 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -136.2 123.08 21.29 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.68 -23.22 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.302 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -55.51 -34.57 64.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.23 21.4 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 5.9 p-10 42.25 80.67 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.492 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.58 141.92 1.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.33 158.79 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.3 131.35 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.58 176.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.9 m -94.3 0.52 55.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.363 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 55.65 3.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.85 0.357 . . . . 0.0 111.27 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -175.88 34.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.003 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.91 44.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 27.18 7.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 178.88 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.312 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -106.48 91.64 6.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.239 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.34 100.76 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.605 2.203 . . . . 0.0 112.208 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -157.99 61.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.432 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -174.06 146.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -65.25 -41.61 94.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.256 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 26.8 p90 -59.89 -20.2 55.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.272 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.4 m -73.77 -33.43 64.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 110.653 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.06 -30.67 71.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.92 -32.77 31.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.367 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.67 -50.62 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.283 -179.912 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -92.85 -169.65 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.712 0.291 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.96 152.01 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.202 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CG ' ' N ' ' A' ' 16' ' ' SER . 26.4 t-105 -75.3 162.06 28.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.67 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.461 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -143.11 133.25 24.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.9 -20.4 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.36 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -52.11 -30.51 26.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.87 21.79 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.271 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 1.7 m-20 43.26 77.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.471 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -177.76 135.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.69 156.48 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.02 121.87 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.58 169.64 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -24.71 58.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.8 64.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 111.224 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.49 37.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.6 t -160.91 41.35 0.16 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -78.29 -2.44 37.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.191 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.82 -33.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.68 0.276 . . . . 0.0 111.362 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 111.95 9.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.138 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -85.9 -164.98 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.827 2.352 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 67.2 61.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.107 0.479 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.427 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 2.4 m -159.13 120.98 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.928 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.18 -27.42 68.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.249 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 23.9 p90 -71.89 -18.49 62.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.056 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.7 m -77.29 -33.72 55.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.852 0.358 . . . . 0.0 110.661 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.08 -25.88 15.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -97.61 28.99 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.38 -0.288 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -119.86 -172.64 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.666 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -158.35 155.12 28.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' ' 16' ' ' SER . 4.7 t-105 -76.44 165.18 25.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.525 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -147.55 117.33 7.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.49 -22.99 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.51 -26.3 12.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.06 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.7 20.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.324 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 42.33 80.22 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.471 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 172.36 142.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.29 162.98 16.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.689 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.7 121.13 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.07 173.81 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -22.08 52.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.44 -59.78 4.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.248 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 m -69.82 64.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.34 39.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -112.63 -24.85 9.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.19 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.87 -28.89 8.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.38 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -120.22 72.01 18.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.144 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.74 79.25 3.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.613 2.209 . . . . 0.0 112.222 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -162.04 63.75 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.605 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.483 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -154.02 141.34 19.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.91 -32.22 70.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.405 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.483 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 5.3 p90 -62.31 -19.36 63.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.709 0.29 . . . . 0.0 111.089 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.2 -50.67 8.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 110.794 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.17 -28.76 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.06 -29.56 33.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.354 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.0 t -77.8 -53.04 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 110.734 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 179.813 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.6 p -98.27 -164.6 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.2 t -157.51 150.92 23.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.482 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 21.0 t-105 -83.29 162.99 20.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.728 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.474 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -143.16 154.35 43.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.16 -13.73 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.635 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -50.43 -32.06 16.76 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.11 25.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.482 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.9 OUTLIER 46.84 79.39 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.948 0.404 . . . . 0.0 111.09 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -175.51 124.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.766 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.4 p -69.56 154.8 41.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.423 ' HE1' ' CE2' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -157.02 127.45 6.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.984 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -65.51 176.13 1.56 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.1 m -64.38 -22.85 67.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.41 -35.1 60.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.379 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 5.1 t -66.52 -46.98 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -86.37 52.95 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -97.65 -31.76 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.86 -28.45 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.863 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.27 93.43 8.08 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.676 0.274 . . . . 0.0 111.409 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.68 78.33 3.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.579 2.186 . . . . 0.0 112.104 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -161.43 63.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.445 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -153.91 136.07 14.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -41.19 78.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 10.1 p90 -60.75 -25.59 66.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.795 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.94 -31.52 71.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.619 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 tt -60.75 -32.75 72.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.62 -34.52 56.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.253 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.48 -60.18 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.739 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.428 179.787 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 p 48.19 -164.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.684 0.278 . . . . 0.0 111.295 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -154.09 132.51 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.45 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 32.3 t-105 -58.87 160.31 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.688 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.434 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -139.91 131.8 27.64 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.66 -19.93 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.317 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.4 -31.02 21.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.01 22.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 44.78 80.58 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.875 0.369 . . . . 0.0 111.223 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -177.46 125.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 99.3 m -59.64 155.96 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.26 139.52 9.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.23 163.17 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.5 t -81.19 -29.91 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.07 95.39 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.4 t -173.6 -45.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -94.62 41.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -70.97 -22.78 62.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.29 -51.86 3.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.328 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.01 131.77 15.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.087 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.73 112.65 3.17 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.605 2.204 . . . . 0.0 112.327 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.13 59.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 m -164.19 142.15 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -43.88 96.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.042 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.461 ' CZ ' ' CB ' ' A' ' 34' ' ' SER . 25.8 p90 -62.18 -28.36 69.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.9 m -76.08 -32.88 59.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.712 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.89 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.03 -36.0 11.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.341 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.8 t -61.8 -26.78 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.821 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.1 p -91.63 143.05 26.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 p -79.49 -177.25 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.192 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.3 t-105 -122.01 160.56 24.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.375 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.427 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 1.1 m -136.57 115.14 11.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.856 0.36 . . . . 0.0 111.067 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.87 -23.07 25.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.61 -30.61 61.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.83 20.5 1.28 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.318 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 66.7 m-20 44.87 82.13 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.554 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.13 135.74 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -77.02 163.57 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.744 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.2 128.85 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.83 158.44 10.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -25.36 55.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.064 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.89 100.15 12.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -48.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.0 p -89.38 54.06 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -90.1 -28.15 19.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.84 -42.05 2.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.365 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -108.18 86.77 3.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.142 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.76 87.31 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.581 2.188 . . . . 0.0 112.17 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -161.03 63.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.444 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -150.07 135.02 17.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.79 -40.48 75.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 10.5 p90 -61.9 -31.45 71.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 43.6 t -71.83 -30.38 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.37 -29.56 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.86 -29.62 10.41 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -29.96 58.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.756 0.313 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 m -135.7 -171.64 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.74 138.83 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.206 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.467 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 31.0 t-105 -56.2 159.66 3.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.72 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -138.59 129.24 26.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.901 0.381 . . . . 0.0 111.042 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.78 -21.87 18.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.322 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -52.44 -31.49 34.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.1 22.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 5.3 p-10 42.1 80.14 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.628 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -178.46 123.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.5 p -65.54 135.98 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.771 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.53 146.39 28.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.9 167.59 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.054 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.9 m -102.62 0.42 33.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.409 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.18 -34.5 60.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 111.192 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -61.71 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.68 53.33 2.78 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -71.97 -9.57 58.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.55 -31.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.21 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HG3' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -97.87 112.28 61.25 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -179.628 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.19 127.82 13.15 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.365 2.043 . . . . 0.0 112.226 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.432 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 1.4 p-80 -173.12 45.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.463 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -174.26 146.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.56 -38.72 87.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.221 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.463 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 9.5 p90 -58.48 -24.13 59.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.114 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -67.24 -36.04 80.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.364 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.64 -30.23 69.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.77 -39.73 47.12 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.218 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 m -75.23 -47.77 26.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.588 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.14 179.888 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 t -142.84 148.44 37.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.803 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 p -84.41 161.93 20.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.455 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 21.5 t-105 -105.08 159.82 15.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.417 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -132.23 144.05 50.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 111.047 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.37 -22.05 12.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.285 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -51.92 -35.06 44.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.23 23.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.029 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 47.01 81.03 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.209 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -172.18 127.53 0.57 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.75 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 15' ' ' TRP . 16.6 p -80.7 164.89 22.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.17 133.04 5.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.27 153.12 27.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -20.14 65.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.11 -24.73 10.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.566 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 t -58.14 -47.33 83.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 m -86.88 52.78 2.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 ppt_? -61.55 -28.06 69.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.02 -55.49 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.05 161.2 37.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.107 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.25 160.96 45.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.399 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -176.99 40.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.72 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.432 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -177.4 150.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.16 -46.89 79.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 10.1 p90 -57.83 -28.97 64.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.434 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 9.1 t -71.89 -33.64 68.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.83 -30.09 68.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.28 -30.33 22.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.411 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -83.61 -51.88 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.598 -0.201 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.4 t -150.85 138.65 19.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.3 p -92.3 178.38 5.86 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.234 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.469 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 14.3 t-105 -108.55 161.08 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.477 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.454 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -144.21 143.67 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.956 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.24 -18.17 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.334 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.33 -31.01 42.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.95 22.49 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.212 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 46.13 82.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.381 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -175.18 175.35 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.64 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.11 143.61 42.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.813 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.28 127.56 39.78 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.32 151.67 27.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.15 -29.89 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.6 66.74 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.223 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -176.35 34.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.87 38.92 0.06 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -106.29 41.57 1.4 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -166.2 -40.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.571 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -138.79 96.85 9.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.662 0.268 . . . . 0.0 111.505 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.96 101.18 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.574 2.183 . . . . 0.0 112.16 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.68 61.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.436 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -168.14 144.03 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.48 -45.45 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 10.1 p90 -61.14 -19.79 61.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.7 t -79.94 -38.39 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.71 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -30.19 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.71 -41.41 12.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.37 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.6 -42.26 71.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 120.449 -0.084 . . . . 0.0 112.951 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.3 p -56.88 -166.79 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.303 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.75 129.35 18.08 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.48 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 10.6 t-105 -55.0 162.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.587 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.464 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 1.2 m -135.22 129.16 33.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.41 -21.73 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.315 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.76 -35.34 61.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.961 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.76 21.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.48 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 1.6 m-20 44.75 78.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.357 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.35 139.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.65 159.17 25.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.429 ' HB3' ' CG ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -168.81 137.52 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.19 161.05 5.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.3 m -83.86 -32.09 25.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.95 96.31 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.35 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.32 51.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.334 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -78.64 -3.4 43.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.007 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.72 -32.15 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.055 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 mmt-85 -71.78 112.68 15.07 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.143 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.16 -163.98 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.535 2.157 . . . . 0.0 112.216 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m80 67.89 61.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.431 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 14.0 m -161.77 138.2 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.107 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.8 -16.56 16.56 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.29 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 35.5 p90 -70.52 -45.85 64.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.302 . . . . 0.0 111.108 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 6.4 p -74.28 -23.74 59.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.848 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.13 -27.75 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.48 -42.64 2.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -25.25 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 111.081 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.245 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 p -80.68 -175.61 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 m -152.1 142.86 22.9 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.99 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.495 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.2 t-105 -79.72 164.91 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.495 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -138.14 125.18 21.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.52 -20.98 19.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.296 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -54.67 -31.64 57.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.25 21.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.225 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER 44.73 81.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.351 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -173.33 139.56 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.762 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -77.83 160.9 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.8 124.43 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -63.02 166.31 5.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -26.88 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.02 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.11 -30.6 64.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.27 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 t -90.52 46.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 t -161.55 39.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -109.27 37.79 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.03 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.188 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -113.05 72.43 1.49 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.17 90.45 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.448 2.098 . . . . 0.0 112.238 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -161.19 63.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.65 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.462 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 72.7 m -161.68 144.32 11.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.69 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 19.1 t70 -54.94 -39.71 69.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.253 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.462 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 23.4 p90 -64.43 -16.56 62.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.957 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.9 m -87.33 -54.04 4.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.639 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -61.14 -19.78 61.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.682 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.28 -31.69 7.84 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.25 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.3 t -68.05 -40.28 82.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.861 0.363 . . . . 0.0 110.785 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.224 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.5 p -94.59 -167.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -159.3 132.27 6.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.291 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 8.6 t-105 -61.12 162.68 6.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.484 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -140.45 137.98 34.34 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 110.951 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.82 -23.54 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.71 -35.81 66.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -134.29 18.41 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.493 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 41.68 74.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.489 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' N ' ' CZ3' ' A' ' 15' ' ' TRP . 3.1 mmtm -170.55 172.13 6.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.616 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.25 142.17 34.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.763 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.423 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -148.71 141.82 24.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.791 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.96 154.77 18.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.2 t -67.43 -28.44 67.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.94 100.49 13.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 p -170.25 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.7 p -86.43 52.98 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -42.13 44.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.003 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.96 -29.58 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.67 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.06 88.16 3.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.425 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.408 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 75.4 Cg_endo -76.82 92.6 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.577 2.185 . . . . 0.0 112.219 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 32' ' ' PRO . 92.9 m-70 -159.33 62.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.473 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 1.9 m -160.41 139.33 10.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -34.33 62.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.259 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CZ ' ' CB ' ' A' ' 34' ' ' SER . 6.6 p90 -57.32 -27.79 62.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.275 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.79 -40.6 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.452 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.24 -25.51 67.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.548 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.67 -27.26 32.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.345 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.5 t -61.35 -34.09 74.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.494 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.12 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.6 p -77.11 -168.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.846 0.355 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.83 146.11 21.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 20.0 t-105 -77.65 161.13 28.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.691 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -133.37 143.41 48.93 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.15 -22.92 12.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.271 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.94 -31.6 41.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.32 21.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.462 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 43.93 79.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.927 0.394 . . . . 0.0 111.326 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.24 132.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.39 161.28 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.432 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -167.11 140.16 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.824 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.89 160.67 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.5 t -71.87 -31.65 66.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.29 97.34 7.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.07 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 m -85.67 52.54 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -111.41 -26.73 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.087 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.35 -32.24 10.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.23 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.98 84.2 4.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.26 108.52 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.548 2.165 . . . . 0.0 112.214 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -155.75 60.49 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.759 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.457 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -169.51 148.98 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.91 -30.11 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.174 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 12.0 p90 -58.88 -42.92 90.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.299 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.521 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 9.4 p -74.45 -31.94 62.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -15.95 63.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.22 -19.82 9.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.737 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 p -74.81 -5.8 45.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.631 0.253 . . . . 0.0 111.309 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 111.347 -179.446 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.8 m -149.29 174.09 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.699 0.285 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.37 152.75 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.962 0.411 . . . . 0.0 111.154 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CG ' ' N ' ' A' ' 16' ' ' SER . 7.0 t-105 -79.55 164.79 23.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.494 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.493 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -140.51 140.67 35.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.963 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.69 -18.37 15.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.416 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -33.52 22.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.09 21.98 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.473 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 72.7 m-20 44.31 80.2 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.345 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -173.19 127.65 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.89 157.73 36.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -170.55 138.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.65 156.02 17.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 m -60.56 -32.09 71.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.96 95.93 6.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.39 -46.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -87.58 53.17 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 ttm105 -98.56 -34.0 10.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.13 -30.98 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.23 83.63 15.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.53 96.18 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.466 2.111 . . . . 0.0 112.268 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -159.77 62.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.01 -162.76 1.39 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.654 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.43 -38.47 3.01 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.41 ' CZ ' ' HE3' ' A' ' 23' ' ' MET . 46.3 p90 -59.62 -28.34 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.125 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.0 m -72.6 -36.39 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.803 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.49 -29.98 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.86 -30.42 26.34 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.97 -43.4 71.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.817 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.154 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.376 -0.29 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.4 p -73.85 -165.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.676 0.274 . . . . 0.0 110.755 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.49 146.05 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 111.27 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.0 t-105 -77.51 160.23 28.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.436 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.3 OUTLIER -135.74 143.13 45.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.783 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.66 -25.77 12.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.33 -30.92 52.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.432 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -142.34 17.74 2.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 41.97 76.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.473 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -170.51 141.15 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.78 149.72 37.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.42 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -153.58 143.83 22.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.62 179.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -16.98 59.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.264 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.72 107.6 18.69 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.799 0.333 . . . . 0.0 111.249 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.44 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.6 p -85.86 53.0 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 111.18 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -101.57 31.11 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.726 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.12 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.36 97.34 35.43 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.73 -166.9 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.397 2.065 . . . . 0.0 112.312 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 m80 65.28 58.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.77 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -129.49 118.29 21.86 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.959 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -24.99 67.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 34' ' ' SER . 42.9 p90 -80.41 -1.8 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.581 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 m -109.82 -41.04 4.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.23 -28.68 69.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.561 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.89 -25.21 38.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.356 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.1 t -91.55 23.64 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 111.202 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 111.066 179.872 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.677 -0.169 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -57.85 -168.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.5 m -153.79 143.57 21.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.479 ' CG ' ' N ' ' A' ' 16' ' ' SER . 15.0 t-105 -66.84 164.07 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.758 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -143.1 116.97 9.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.768 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.97 -23.73 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.205 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.42 -27.38 24.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.158 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.86 22.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.393 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 21.3 m-20 44.49 79.5 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.533 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.27 150.35 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.89 141.17 28.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.745 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.7 tpt -138.67 135.7 35.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.804 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.19 162.27 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -75.15 -30.18 60.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.84 61.96 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.0 0.429 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.3 59.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.643 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.19 45.35 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.338 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.53 -31.32 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.08 0.467 . . . . 0.0 110.309 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.621 ' O ' ' HD2' ' A' ' 32' ' ' PRO . . . -78.54 -23.0 46.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.887 ' HB3' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 54.87 -97.85 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 118.486 -0.768 . . . . 0.0 111.706 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.887 ' CD ' ' HB3' ' A' ' 31' ' ' ARG . 55.4 Cg_endo -68.78 71.08 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 CA-C-N 121.726 1.652 . . . . 0.0 112.089 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.16 40.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.414 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 3.1 m -168.76 133.92 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.38 -31.2 62.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 15.8 p90 -65.74 -33.8 76.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.016 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -68.42 -31.62 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.797 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -30.31 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.85 -43.09 6.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.425 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.79 -26.69 63.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.311 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.13 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.627 -0.189 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -141.23 149.04 40.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.859 0.361 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 p -82.84 -177.63 6.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.227 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 37.0 t-105 -118.55 158.3 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.511 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.58 130.24 29.91 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.16 -21.14 18.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.273 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.11 -32.97 24.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.81 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.67 22.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.086 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 4.2 m-20 43.85 80.69 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.337 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -171.81 127.91 0.62 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.5 m -57.94 167.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.418 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -162.31 126.85 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.922 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.49 150.16 32.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -28.6 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.57 -0.63 57.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.621 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -64.5 -16.6 62.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.659 0.266 . . . . 0.0 111.281 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 m -84.7 53.01 2.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.905 0.384 . . . . 0.0 111.039 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -96.41 40.77 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.86 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.28 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.02 87.94 23.18 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.46 59.62 6.2 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.572 2.181 . . . . 0.0 112.394 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.83 59.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.87 -163.06 1.1 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.635 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.02 -53.97 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 23' ' ' MET . 48.5 p90 -63.48 -27.08 69.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.42 -31.51 48.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.68 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.88 -31.38 70.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.78 -29.03 7.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.434 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.41 22.06 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.271 -179.824 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -94.02 -165.33 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.927 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.68 148.57 42.55 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.922 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.0 t-105 -76.89 164.49 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.555 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -143.34 141.21 30.87 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.976 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.61 -20.91 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.33 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -54.18 -35.54 62.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -137.57 17.62 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.08 0.467 . . . . 0.0 111.208 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.488 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 3.1 m-20 45.64 70.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.424 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.6 176.55 8.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.67 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.77 146.95 39.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 36' ' ' PHE . 3.1 tpt -165.28 135.1 3.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -57.36 152.1 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 p -86.4 -35.16 19.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.071 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.97 -27.59 2.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.371 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -59.7 -40.32 87.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 p -86.52 52.71 2.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.961 0.41 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -96.55 36.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.12 -41.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.3 86.53 57.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.747 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.73 110.55 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.614 2.209 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -159.04 59.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.454 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -165.65 141.93 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.64 -38.7 80.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.083 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.454 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 20.8 p90 -59.17 -21.87 60.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.335 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -80.78 -38.47 28.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.937 0.398 . . . . 0.0 110.557 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -27.98 68.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.653 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.97 -26.58 31.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.429 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.01 -28.28 68.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 -179.909 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.0 152.64 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.334 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 p -88.8 144.2 26.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.287 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 25.4 t-105 -76.65 160.93 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.505 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.439 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -139.09 115.92 10.8 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.95 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.27 -23.75 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -30.13 56.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.09 19.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.282 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 11.8 m-20 41.67 78.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.558 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.6 130.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.54 162.09 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 ttt -166.79 135.78 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.52 154.86 13.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.5 t -58.24 -20.53 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.298 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.0 -145.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.1 -64.08 0.39 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.698 0.285 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -84.58 52.86 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -83.93 1.89 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.359 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.8 -48.18 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.817 0.341 . . . . 0.0 111.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -108.89 85.9 3.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.51 107.01 2.29 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.586 2.191 . . . . 0.0 112.264 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -155.8 60.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.11 -162.6 1.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -114.81 -40.88 3.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 54.4 p90 -62.46 -47.63 83.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 27.7 p -77.96 -27.44 49.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.46 -15.51 62.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.287 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.42 -29.16 3.27 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.767 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.0 p -62.45 -33.59 75.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.949 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.267 -179.871 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.2 p -94.18 -164.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.723 0.296 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -155.34 126.37 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.058 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 16' ' ' SER . 20.4 t-105 -57.97 162.42 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.739 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.475 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -142.52 126.59 17.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.15 -21.84 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.299 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -30.42 38.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.0 20.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.449 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 42.39 79.75 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.674 179.654 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -178.71 134.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.0 p -62.91 160.09 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.11 125.73 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.49 163.68 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -30.32 67.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.39 77.66 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -166.06 -42.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.7 p -107.71 52.65 0.71 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.977 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -97.36 38.03 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.46 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.47 87.38 36.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.2 103.87 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.608 2.205 . . . . 0.0 112.298 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -158.04 61.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.443 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 48.2 m -167.56 145.13 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -57.02 -43.45 81.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.199 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 9.8 p90 -60.26 -27.48 67.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.071 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.2 t -78.33 -37.19 45.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.8 -29.48 66.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.43 -39.9 4.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.664 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -76.67 -54.8 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.282 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.788 0.328 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.56 124.19 24.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.73 143.14 6.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.179 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -61.95 77.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.614 2.209 . . . . 0.0 112.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 6' ' ' THR . . . 115.44 -123.86 6.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.714 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER 44.36 104.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.162 0.506 . . . . 0.0 111.762 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.42 163.8 16.16 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.164 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.89 54.59 5.2 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.721 2.281 . . . . 0.0 112.634 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 52.17 96.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.6 p -152.66 123.53 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.16 91.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.56 -110.53 3.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t 48.13 -171.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.328 . . . . 0.0 111.287 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.9 t -160.33 140.96 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.1 t-105 -75.48 164.52 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -136.2 123.08 21.29 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.68 -23.22 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.302 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -55.51 -34.57 64.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.23 21.4 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 5.9 p-10 42.25 80.67 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.492 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.58 141.92 1.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.33 158.79 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.3 131.35 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.58 176.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.9 m -94.3 0.52 55.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.363 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 55.65 3.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.85 0.357 . . . . 0.0 111.27 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -175.88 34.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.003 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.91 44.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 27.18 7.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 178.88 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.312 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -106.48 91.64 6.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.239 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.34 100.76 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.605 2.203 . . . . 0.0 112.208 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -157.99 61.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.432 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -174.06 146.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -65.25 -41.61 94.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.256 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 26.8 p90 -59.89 -20.2 55.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.272 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.4 m -73.77 -33.43 64.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 110.653 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.06 -30.67 71.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.92 -32.77 31.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.367 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.67 -50.62 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.61 -173.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.283 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 68.09 12.04 8.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.574 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.66 95.29 0.04 OUTLIER Pre-proline 0 C--N 1.332 -0.158 0 CA-C-O 120.603 0.239 . . . . 0.0 111.508 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.455 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 51.5 Cg_exo -52.56 -46.42 33.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.397 2.065 . . . . 0.0 112.485 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 44' ' ' PRO . 91.0 Cg_endo -80.51 179.39 6.14 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.317 2.011 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.94 146.66 7.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.69 -167.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.471 2.114 . . . . 0.0 112.22 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -75.87 -42.68 48.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.07 -63.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -176.47 160.61 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mp -126.89 173.88 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -117.08 88.79 28.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo . . . . . 0 C--O 1.25 1.075 0 C-N-CA 122.571 2.181 . . . . 0.0 112.356 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.773 0.321 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -146.89 -179.7 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.42 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . . . -177.04 -62.35 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.002 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 3' ' ' ALA . 61.2 Cg_endo -73.16 149.68 46.47 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.576 2.184 . . . . 0.0 112.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.97 -54.05 2.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.551 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 m -96.93 38.49 1.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.755 0.312 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.08 106.84 0.71 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.81 63.41 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.431 2.087 . . . . 0.0 112.317 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 m 57.45 71.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.4 m -93.13 -46.07 7.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -157.14 136.35 11.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.41 -52.58 1.06 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -92.85 -169.65 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.712 0.291 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.96 152.01 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.202 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CG ' ' N ' ' A' ' 16' ' ' SER . 26.4 t-105 -75.3 162.06 28.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.67 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.461 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -143.11 133.25 24.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.9 -20.4 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.36 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -52.11 -30.51 26.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.87 21.79 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.271 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 1.7 m-20 43.26 77.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.471 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -177.76 135.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.69 156.48 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.02 121.87 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.58 169.64 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -24.71 58.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.8 64.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 111.224 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.49 37.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.6 t -160.91 41.35 0.16 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -78.29 -2.44 37.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.191 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.82 -33.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.68 0.276 . . . . 0.0 111.362 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 111.95 9.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.138 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -85.9 -164.98 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.827 2.352 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 67.2 61.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.107 0.479 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.427 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 2.4 m -159.13 120.98 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.928 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.18 -27.42 68.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.249 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 23.9 p90 -71.89 -18.49 62.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.056 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.7 m -77.29 -33.72 55.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.852 0.358 . . . . 0.0 110.661 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.08 -25.88 15.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -97.61 28.99 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -165.51 86.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 71.96 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.64 161.28 64.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -51.76 176.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.565 2.177 . . . . 0.0 112.266 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -51.47 -40.41 63.01 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.538 2.158 . . . . 0.0 112.286 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.08 135.68 24.81 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.35 132.99 15.56 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.525 2.15 . . . . 0.0 112.354 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 60.04 -167.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 65.36 131.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mp 60.86 66.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mp -105.04 147.9 27.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.437 ' CB ' ' CD ' ' A' ' 53' ' ' PRO . 2.8 m95 -92.34 -64.57 0.15 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 52' ' ' TRP . 69.4 Cg_endo . . . . . 0 C--O 1.249 1.057 0 C-N-CA 122.265 1.977 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.723 0.296 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.58 -71.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.974 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.51 75.18 0.62 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.176 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.71 177.63 6.03 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.496 2.131 . . . . 0.0 112.326 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.19 -73.86 1.87 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -100.59 131.82 46.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -121.75 163.14 32.85 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.048 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -78.0 54.28 4.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.685 2.257 . . . . 0.0 112.582 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.4 m 47.92 36.18 5.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.357 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.09 28.46 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.66 31.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.747 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.81 -30.22 0.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.38 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -119.86 -172.64 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.666 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -158.35 155.12 28.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' ' 16' ' ' SER . 4.7 t-105 -76.44 165.18 25.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.525 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -147.55 117.33 7.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.49 -22.99 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.51 -26.3 12.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.06 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.7 20.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.324 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 42.33 80.22 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.471 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 172.36 142.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.29 162.98 16.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.689 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.7 121.13 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.07 173.81 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -22.08 52.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.44 -59.78 4.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.248 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 m -69.82 64.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.34 39.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -112.63 -24.85 9.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.19 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.87 -28.89 8.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.38 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -120.22 72.01 18.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.144 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.74 79.25 3.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.613 2.209 . . . . 0.0 112.222 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -162.04 63.75 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.605 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.483 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -154.02 141.34 19.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.91 -32.22 70.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.405 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.483 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 5.3 p90 -62.31 -19.36 63.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.709 0.29 . . . . 0.0 111.089 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.2 -50.67 8.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 110.794 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.17 -28.76 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.06 -29.56 33.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.354 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.0 t -77.8 -53.04 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 110.734 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.93 105.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 60.96 172.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.99 150.38 48.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.47 153.76 65.4 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.556 2.171 . . . . 0.0 112.271 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.04 179.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.586 2.19 . . . . 0.0 112.25 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.44 122.89 38.13 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.14 176.76 8.04 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.4 2.066 . . . . 0.0 112.373 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -60.6 163.72 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 63.8 32.39 13.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -151.3 159.21 44.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.5 177.26 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.04 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.425 ' CE3' ' HA ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -156.26 79.1 4.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.631 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.573 2.182 . . . . 0.0 112.275 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.744 0.307 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -108.9 -44.31 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.812 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.403 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . . . -73.55 -61.22 1.44 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 3' ' ' ALA . 59.8 Cg_endo -72.5 133.58 20.92 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.544 2.163 . . . . 0.0 112.275 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.18 61.03 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.81 165.61 10.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.85 148.06 92.55 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.014 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.64 62.47 2.96 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.46 2.107 . . . . 0.0 112.211 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 59.46 65.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.93 119.71 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 60.75 106.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.64 -25.79 9.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.597 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.6 p -98.27 -164.6 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.2 t -157.51 150.92 23.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.482 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 21.0 t-105 -83.29 162.99 20.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.728 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.474 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -143.16 154.35 43.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.16 -13.73 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.635 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -50.43 -32.06 16.76 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.11 25.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.482 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.9 OUTLIER 46.84 79.39 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.948 0.404 . . . . 0.0 111.09 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -175.51 124.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.766 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.4 p -69.56 154.8 41.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.423 ' HE1' ' CE2' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -157.02 127.45 6.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.984 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -65.51 176.13 1.56 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.1 m -64.38 -22.85 67.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.41 -35.1 60.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.379 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 5.1 t -66.52 -46.98 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -86.37 52.95 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -97.65 -31.76 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.86 -28.45 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.863 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.27 93.43 8.08 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.676 0.274 . . . . 0.0 111.409 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.68 78.33 3.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.579 2.186 . . . . 0.0 112.104 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -161.43 63.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.445 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -153.91 136.07 14.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -41.19 78.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 10.1 p90 -60.75 -25.59 66.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.795 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.94 -31.52 71.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.619 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 tt -60.75 -32.75 72.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.62 -34.52 56.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.253 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.48 -60.18 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.739 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 53.27 44.37 30.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.428 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.98 31.85 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.39 87.77 10.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.41 154.4 11.6 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.556 2.171 . . . . 0.0 112.288 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.35 133.61 48.82 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.577 2.185 . . . . 0.0 112.392 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' CB ' ' CD ' ' A' ' 47' ' ' PRO . . . -73.69 -61.35 1.37 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 46' ' ' ALA . 58.7 Cg_endo -72.25 172.79 14.16 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.558 2.172 . . . . 0.0 112.389 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -104.71 174.89 5.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -72.2 152.44 42.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.755 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tp -101.68 131.93 47.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.813 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -165.32 166.57 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.408 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -72.59 -53.07 6.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 52' ' ' TRP . 68.9 Cg_exo . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.563 2.175 . . . . 0.0 112.211 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.798 0.332 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -137.17 179.86 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.61 86.51 3.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.85 -59.82 0.92 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.591 2.194 . . . . 0.0 112.326 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.7 -45.85 0.54 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 62.85 119.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.481 ' CB ' ' HD3' ' A' ' 8' ' ' PRO . . . -104.84 -55.28 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.548 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 7' ' ' ALA . 6.0 Cg_exo -78.41 43.94 1.52 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.721 2.281 . . . . 0.0 112.547 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t 55.55 169.94 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.8 t -141.59 -169.58 2.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.734 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 151.38 44.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.42 -135.32 45.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 p 48.19 -164.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.684 0.278 . . . . 0.0 111.295 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -154.09 132.51 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.45 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 32.3 t-105 -58.87 160.31 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.688 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.434 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -139.91 131.8 27.64 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.66 -19.93 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.317 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.4 -31.02 21.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.01 22.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 44.78 80.58 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.875 0.369 . . . . 0.0 111.223 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -177.46 125.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 99.3 m -59.64 155.96 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.26 139.52 9.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.23 163.17 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.5 t -81.19 -29.91 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.07 95.39 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.4 t -173.6 -45.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -94.62 41.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -70.97 -22.78 62.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.29 -51.86 3.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.328 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.01 131.77 15.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.087 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.73 112.65 3.17 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.605 2.204 . . . . 0.0 112.327 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.13 59.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 m -164.19 142.15 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -43.88 96.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.042 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.461 ' CZ ' ' CB ' ' A' ' 34' ' ' SER . 25.8 p90 -62.18 -28.36 69.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.9 m -76.08 -32.88 59.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.712 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.89 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.03 -36.0 11.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.341 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.8 t -61.8 -26.78 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.821 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.58 -62.08 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.83 -175.47 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.4 93.01 41.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.035 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.425 ' HG2' ' HD3' ' A' ' 45' ' ' PRO . 4.9 Cg_exo -39.61 -52.83 2.45 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.034 2.489 . . . . 0.0 112.703 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 81.4 Cg_exo -43.93 119.08 1.81 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.505 2.136 . . . . 0.0 112.554 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.36 -61.0 1.92 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.54 141.06 41.15 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.506 2.137 . . . . 0.0 112.417 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -94.56 -32.37 13.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.49 -14.63 18.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.359 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.19 83.19 0.17 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.353 . . . . 0.0 110.82 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 mt -102.57 160.84 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -107.29 92.11 7.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo . . . . . 0 C--O 1.25 1.08 0 C-N-CA 122.522 2.148 . . . . 0.0 112.294 -179.91 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.835 0.35 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.42 -30.93 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.414 ' N ' ' CD ' ' A' ' 4' ' ' PRO . . . -59.31 -52.94 70.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.065 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' A' ' 3' ' ' ALA . 56.4 Cg_exo -51.74 115.17 1.94 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.53 2.153 . . . . 0.0 112.359 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.97 121.65 5.9 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.9 p -141.67 -119.84 0.11 Allowed 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.01 -0.112 . . . . 0.0 110.746 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.6 93.82 6.48 Favored Pre-proline 0 N--CA 1.456 -0.164 0 CA-C-O 120.616 0.246 . . . . 0.0 111.156 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.08 66.17 3.37 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.487 2.124 . . . . 0.0 112.168 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.8 m -50.66 177.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.198 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.95 31.05 18.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.761 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 28.26 2.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.41 -35.46 2.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.597 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.1 p -91.63 143.05 26.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 p -79.49 -177.25 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.192 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.3 t-105 -122.01 160.56 24.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.375 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.427 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 1.1 m -136.57 115.14 11.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.856 0.36 . . . . 0.0 111.067 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.87 -23.07 25.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.61 -30.61 61.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.83 20.5 1.28 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.318 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 66.7 m-20 44.87 82.13 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.554 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.13 135.74 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -77.02 163.57 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.744 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.2 128.85 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.83 158.44 10.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -25.36 55.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.064 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.89 100.15 12.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -48.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.0 p -89.38 54.06 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -90.1 -28.15 19.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.84 -42.05 2.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.365 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -108.18 86.77 3.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.142 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.76 87.31 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.581 2.188 . . . . 0.0 112.17 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -161.03 63.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.444 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -150.07 135.02 17.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.79 -40.48 75.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 10.5 p90 -61.9 -31.45 71.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 43.6 t -71.83 -30.38 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.37 -29.56 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.86 -29.62 10.41 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -29.96 58.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.756 0.313 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.37 79.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 59.23 103.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.68 143.69 30.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.11 127.12 11.05 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.538 2.159 . . . . 0.0 112.428 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.93 -17.14 35.7 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.527 2.151 . . . . 0.0 112.483 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 78.3 107.62 0.03 OUTLIER Pre-proline 0 CA--C 1.529 0.145 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.063 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.12 -157.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.709 2.273 . . . . 0.0 112.415 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 71.63 -170.88 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 165.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 tp -170.94 118.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -123.2 148.0 46.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -135.43 72.18 65.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 C--O 1.25 1.091 0 C-N-CA 122.553 2.168 . . . . 0.0 112.315 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.808 0.337 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -111.23 77.29 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.39 67.38 1.89 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.6 126.65 22.5 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.455 2.103 . . . . 0.0 112.312 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.66 25.52 4.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.675 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.01 153.6 30.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.425 ' CB ' ' HD3' ' A' ' 8' ' ' PRO . . . -59.79 -51.67 79.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.236 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 7' ' ' ALA . 8.2 Cg_exo -72.17 51.11 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.726 2.284 . . . . 0.0 112.302 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.7 t -68.54 111.06 4.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 m 59.9 -177.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.74 129.57 49.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.72 57.92 15.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.417 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 m -135.7 -171.64 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.74 138.83 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.206 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.467 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 31.0 t-105 -56.2 159.66 3.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.72 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -138.59 129.24 26.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.901 0.381 . . . . 0.0 111.042 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.78 -21.87 18.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.322 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -52.44 -31.49 34.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.1 22.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 5.3 p-10 42.1 80.14 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.628 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -178.46 123.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.5 p -65.54 135.98 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.771 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.53 146.39 28.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.9 167.59 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.054 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.9 m -102.62 0.42 33.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.409 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.18 -34.5 60.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 111.192 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -61.71 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.68 53.33 2.78 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -71.97 -9.57 58.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.55 -31.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.21 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HG3' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -97.87 112.28 61.25 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -179.628 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.19 127.82 13.15 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.365 2.043 . . . . 0.0 112.226 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.432 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 1.4 p-80 -173.12 45.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.463 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -174.26 146.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.56 -38.72 87.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.221 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.463 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 9.5 p90 -58.48 -24.13 59.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.114 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -67.24 -36.04 80.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.364 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.64 -30.23 69.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.77 -39.73 47.12 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.218 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 m -75.23 -47.77 26.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.588 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.43 74.95 10.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.19 126.03 28.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 58.7 95.76 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -48.89 105.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.486 2.124 . . . . 0.0 112.411 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.35 -44.08 49.32 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.458 2.105 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -136.34 158.59 73.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.76 -168.07 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.624 2.216 . . . . 0.0 112.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -74.57 162.82 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 102.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mp -76.13 89.7 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mt -130.0 -176.74 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.495 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 96.6 m95 -67.58 -47.0 47.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.393 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.495 ' HD3' ' HB2' ' A' ' 52' ' ' TRP . 55.3 Cg_exo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.337 2.024 . . . . 0.0 112.277 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -108.25 -30.0 8.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.43 ' N ' ' HD2' ' A' ' 4' ' ' PRO . . . -57.71 -61.67 6.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.349 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 3' ' ' ALA . 25.9 Cg_endo -62.08 177.9 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.468 2.112 . . . . 0.0 112.281 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.62 -127.95 1.4 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.692 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.3 t -134.93 -161.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 74.71 120.81 0.03 OUTLIER Pre-proline 0 C--N 1.333 -0.142 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.121 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -79.97 70.24 7.6 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.579 2.186 . . . . 0.0 112.406 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -134.49 155.75 49.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -163.62 -49.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.44 105.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.41 36.27 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.578 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 t -142.84 148.44 37.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.803 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 p -84.41 161.93 20.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.455 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 21.5 t-105 -105.08 159.82 15.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.417 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -132.23 144.05 50.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 111.047 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.37 -22.05 12.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.285 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -51.92 -35.06 44.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.23 23.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.029 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 47.01 81.03 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.209 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -172.18 127.53 0.57 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.75 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 15' ' ' TRP . 16.6 p -80.7 164.89 22.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.17 133.04 5.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.27 153.12 27.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -20.14 65.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.11 -24.73 10.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.566 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 t -58.14 -47.33 83.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 m -86.88 52.78 2.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 ppt_? -61.55 -28.06 69.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.02 -55.49 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.05 161.2 37.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.107 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.25 160.96 45.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.399 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -176.99 40.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.72 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.432 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -177.4 150.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.16 -46.89 79.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 10.1 p90 -57.83 -28.97 64.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.434 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 9.1 t -71.89 -33.64 68.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.83 -30.09 68.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.28 -30.33 22.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.411 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -83.61 -51.88 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.85 108.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.46 82.73 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.52 92.38 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.453 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 32.2 Cg_exo -56.97 -47.3 23.75 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.501 2.134 . . . . 0.0 112.548 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 44' ' ' PRO . 90.3 Cg_endo -81.05 -170.07 0.93 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.393 2.062 . . . . 0.0 112.305 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.48 110.66 3.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -73.72 162.0 40.56 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.456 2.104 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.1 137.69 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.798 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -104.56 -25.61 12.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.43 30.06 13.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mp -110.73 -166.35 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.787 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.0 m95 63.93 87.73 0.12 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.249 1.074 0 C-N-CA 122.6 2.2 . . . . 0.0 112.263 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.791 0.329 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.07 179.18 5.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.414 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . . . -179.35 -55.63 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD3' ' CB ' ' A' ' 3' ' ' ALA . 64.1 Cg_exo -51.16 -44.86 40.22 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.495 2.13 . . . . 0.0 112.443 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.07 -177.49 47.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.5 m 63.43 138.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.879 0.371 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.82 148.4 69.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -80.16 52.76 4.45 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.672 2.248 . . . . 0.0 112.611 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -80.88 82.3 6.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 t 63.78 129.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.37 130.33 42.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.51 58.56 1.52 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.598 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.4 t -150.85 138.65 19.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.3 p -92.3 178.38 5.86 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.234 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.469 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 14.3 t-105 -108.55 161.08 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.477 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.454 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -144.21 143.67 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.956 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.24 -18.17 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.334 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.33 -31.01 42.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.95 22.49 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.212 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 46.13 82.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.381 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -175.18 175.35 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.64 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.11 143.61 42.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.813 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.28 127.56 39.78 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.32 151.67 27.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.15 -29.89 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.6 66.74 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.223 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -176.35 34.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.87 38.92 0.06 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -106.29 41.57 1.4 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -166.2 -40.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.571 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -138.79 96.85 9.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.662 0.268 . . . . 0.0 111.505 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.96 101.18 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.574 2.183 . . . . 0.0 112.16 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.68 61.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.436 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -168.14 144.03 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.48 -45.45 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 10.1 p90 -61.14 -19.79 61.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.7 t -79.94 -38.39 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.71 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -30.19 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.71 -41.41 12.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.37 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.6 -42.26 71.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 122.03 15.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -131.39 -46.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.12 99.6 40.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.95 149.6 82.95 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.38 2.053 . . . . 0.0 112.315 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.84 165.15 33.58 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.511 2.141 . . . . 0.0 112.45 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -119.36 154.57 54.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.55 178.62 4.87 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.567 2.178 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -168.5 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 61.2 -170.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 159.3 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.815 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -106.89 170.94 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.988 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.24 62.94 21.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.986 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo . . . . . 0 C--O 1.25 1.082 0 C-N-CA 122.65 2.234 . . . . 0.0 112.303 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.79 0.329 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 68.9 -67.7 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.986 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.85 161.59 1.59 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.97 102.38 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.548 2.165 . . . . 0.0 112.258 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.65 18.33 2.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.702 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 63.26 135.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.854 0.359 . . . . 0.0 111.001 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.68 67.95 2.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.44 61.99 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.813 2.342 . . . . 0.0 112.449 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.6 m 52.19 43.53 30.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.199 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 105.43 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -175.51 -177.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.96 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.27 -6.24 64.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.951 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.3 p -56.88 -166.79 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.303 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.75 129.35 18.08 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.48 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 10.6 t-105 -55.0 162.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.587 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.464 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 1.2 m -135.22 129.16 33.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.41 -21.73 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.315 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.76 -35.34 61.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.961 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.76 21.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.48 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 1.6 m-20 44.75 78.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.357 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.35 139.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.65 159.17 25.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.429 ' HB3' ' CG ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -168.81 137.52 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.19 161.05 5.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.3 m -83.86 -32.09 25.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.95 96.31 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.35 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.32 51.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.334 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -78.64 -3.4 43.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.007 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.72 -32.15 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.055 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 mmt-85 -71.78 112.68 15.07 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.143 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.16 -163.98 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.535 2.157 . . . . 0.0 112.216 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m80 67.89 61.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.431 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 14.0 m -161.77 138.2 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.107 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.8 -16.56 16.56 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.29 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 35.5 p90 -70.52 -45.85 64.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.302 . . . . 0.0 111.108 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 6.4 p -74.28 -23.74 59.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.848 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.13 -27.75 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.48 -42.64 2.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -25.25 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 111.081 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.11 -65.77 0.52 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.245 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.35 125.84 5.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.67 75.14 0.38 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.31 110.12 2.59 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.623 2.216 . . . . 0.0 112.265 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.87 89.89 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.52 2.147 . . . . 0.0 112.283 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -172.5 137.36 0.86 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.064 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.0 109.12 2.82 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.603 2.202 . . . . 0.0 112.308 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.67 -31.64 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.09 -179.17 3.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.81 155.71 47.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.708 ' O ' ' HB2' ' A' ' 52' ' ' TRP . 1.2 tp -131.82 173.68 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.708 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER 100.33 -65.08 0.0 OUTLIER Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 124.041 0.937 . . . . 0.0 111.562 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.454 ' CD ' ' O ' ' A' ' 51' ' ' LEU . 92.9 Cg_endo . . . . . 0 C--O 1.249 1.036 0 C-N-CA 122.181 1.921 . . . . 0.0 112.443 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.759 0.314 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.36 111.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.2 144.75 28.62 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.28 -175.38 2.18 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.508 2.139 . . . . 0.0 112.323 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.6 70.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.64 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 t -76.53 -28.62 56.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.01 0.433 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' N ' ' HD2' ' A' ' 8' ' ' PRO . . . -75.9 -60.25 1.04 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.464 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 7' ' ' ALA . 42.0 Cg_endo -68.06 58.74 0.91 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.482 2.121 . . . . 0.0 112.302 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.2 m 63.98 -178.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.97 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.1 m -134.66 -173.78 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.82 128.78 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.85 -41.97 2.01 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.487 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 p -80.68 -175.61 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 m -152.1 142.86 22.9 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.99 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.495 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.2 t-105 -79.72 164.91 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.495 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -138.14 125.18 21.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.52 -20.98 19.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.296 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -54.67 -31.64 57.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.25 21.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.225 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER 44.73 81.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.351 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -173.33 139.56 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.762 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -77.83 160.9 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.8 124.43 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -63.02 166.31 5.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -26.88 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.02 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.11 -30.6 64.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.27 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 t -90.52 46.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 t -161.55 39.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -109.27 37.79 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.03 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.188 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -113.05 72.43 1.49 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.17 90.45 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.448 2.098 . . . . 0.0 112.238 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -161.19 63.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.65 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.462 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 72.7 m -161.68 144.32 11.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.69 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 19.1 t70 -54.94 -39.71 69.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.253 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.462 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 23.4 p90 -64.43 -16.56 62.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.957 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.9 m -87.33 -54.04 4.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.639 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -61.14 -19.78 61.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.682 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.28 -31.69 7.84 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.25 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.3 t -68.05 -40.28 82.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.861 0.363 . . . . 0.0 110.785 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.18 123.38 16.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.95 76.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 62.53 146.79 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.95 140.27 93.29 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.198 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.09 159.38 26.91 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.553 2.169 . . . . 0.0 112.404 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 99.15 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -51.04 137.37 44.68 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.554 2.169 . . . . 0.0 112.301 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -107.97 -33.75 7.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.81 137.29 41.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.2 mt -109.77 125.7 52.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mt -130.44 172.59 11.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -58.96 109.34 1.8 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.39 2.06 . . . . 0.0 112.281 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.778 0.323 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 69.08 -65.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.71 144.65 72.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.201 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.67 -62.13 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.501 2.134 . . . . 0.0 112.289 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.68 130.97 2.57 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.4 m -142.06 135.6 29.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.336 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.1 143.07 36.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.77 54.85 5.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.602 2.201 . . . . 0.0 112.462 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -30.67 70.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.1 m 61.84 178.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -66.46 144.61 56.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.72 -63.5 0.28 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.5 p -94.59 -167.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -159.3 132.27 6.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.291 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 8.6 t-105 -61.12 162.68 6.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.484 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -140.45 137.98 34.34 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 110.951 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.82 -23.54 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.71 -35.81 66.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -134.29 18.41 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.493 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 41.68 74.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.489 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' N ' ' CZ3' ' A' ' 15' ' ' TRP . 3.1 mmtm -170.55 172.13 6.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.616 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.25 142.17 34.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.763 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.423 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -148.71 141.82 24.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.791 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.96 154.77 18.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.2 t -67.43 -28.44 67.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.94 100.49 13.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 p -170.25 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.7 p -86.43 52.98 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -42.13 44.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.003 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.96 -29.58 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.67 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.06 88.16 3.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.425 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.408 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 75.4 Cg_endo -76.82 92.6 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.577 2.185 . . . . 0.0 112.219 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 32' ' ' PRO . 92.9 m-70 -159.33 62.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.473 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 1.9 m -160.41 139.33 10.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -34.33 62.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.259 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CZ ' ' CB ' ' A' ' 34' ' ' SER . 6.6 p90 -57.32 -27.79 62.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.275 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.79 -40.6 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.452 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.24 -25.51 67.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.548 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.67 -27.26 32.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.345 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.5 t -61.35 -34.09 74.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.494 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.29 107.92 12.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.82 127.13 30.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.55 113.1 29.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.5 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 50.6 Cg_exo -54.78 -47.32 27.32 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.517 2.144 . . . . 0.0 112.662 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 44' ' ' PRO . 72.3 Cg_endo -75.2 -5.7 17.02 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.239 1.959 . . . . 0.0 112.65 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.76 68.89 3.15 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.43 -173.85 1.45 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.47 179.26 4.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 59.94 -159.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.77 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt 68.34 156.28 0.13 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.88 0.371 . . . . 0.0 110.777 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tp -57.08 176.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.421 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -58.27 -57.23 27.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 52' ' ' TRP . 61.0 Cg_endo . . . . . 0 C--O 1.25 1.087 0 C-N-CA 122.425 2.083 . . . . 0.0 112.319 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.793 0.33 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.61 32.0 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.82 162.68 49.22 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.08 -57.48 2.11 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.562 2.175 . . . . 0.0 112.254 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.44 -105.73 0.29 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m 59.73 29.92 19.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.321 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.533 ' CB ' ' HD3' ' A' ' 8' ' ' PRO . . . -126.26 -58.79 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 7' ' ' ALA . 13.6 Cg_exo -69.73 52.6 1.0 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.403 2.069 . . . . 0.0 112.443 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.6 t 57.93 163.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.989 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.0 t -58.99 148.26 31.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.11 138.86 58.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.74 -39.14 2.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.6 p -77.11 -168.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.846 0.355 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.83 146.11 21.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 20.0 t-105 -77.65 161.13 28.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.691 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -133.37 143.41 48.93 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.15 -22.92 12.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.271 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.94 -31.6 41.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.32 21.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.462 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 43.93 79.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.927 0.394 . . . . 0.0 111.326 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.24 132.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.39 161.28 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.432 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -167.11 140.16 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.824 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.89 160.67 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.5 t -71.87 -31.65 66.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.29 97.34 7.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.07 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 m -85.67 52.54 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -111.41 -26.73 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.087 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.35 -32.24 10.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.23 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.98 84.2 4.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.26 108.52 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.548 2.165 . . . . 0.0 112.214 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -155.75 60.49 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.759 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.457 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -169.51 148.98 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.91 -30.11 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.174 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 12.0 p90 -58.88 -42.92 90.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.299 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.521 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 9.4 p -74.45 -31.94 62.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -15.95 63.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.22 -19.82 9.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.737 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 p -74.81 -5.8 45.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.631 0.253 . . . . 0.0 111.309 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.76 179.46 7.1 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 111.347 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.37 179.34 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.17 107.52 0.87 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.253 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -84.53 108.06 1.23 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.618 2.212 . . . . 0.0 112.398 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.81 -42.58 2.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.451 2.1 . . . . 0.0 112.175 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -145.8 157.87 50.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.021 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 104.69 1.37 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.406 2.071 . . . . 0.0 112.324 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -98.47 135.21 40.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -84.44 -177.91 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.65 135.63 39.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 tp -112.28 -163.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.44 ' CB ' ' CD ' ' A' ' 53' ' ' PRO . 5.7 m95 -164.87 -64.54 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.012 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 52' ' ' TRP . 40.8 Cg_endo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.377 2.051 . . . . 0.0 112.185 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.811 0.339 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.4 -68.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 54.75 90.94 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.262 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.02 -25.23 44.41 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.486 2.124 . . . . 0.0 112.29 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.27 120.7 1.83 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.461 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -91.4 150.9 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.364 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -159.48 157.89 27.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.81 63.52 2.4 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.567 2.178 . . . . 0.0 112.269 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m 61.69 116.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.9 m -157.59 -45.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.92 96.42 5.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.83 48.59 11.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.8 m -149.29 174.09 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.699 0.285 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.37 152.75 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.962 0.411 . . . . 0.0 111.154 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CG ' ' N ' ' A' ' 16' ' ' SER . 7.0 t-105 -79.55 164.79 23.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.494 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.493 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -140.51 140.67 35.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.963 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.69 -18.37 15.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.416 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -33.52 22.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.09 21.98 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.473 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 72.7 m-20 44.31 80.2 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.345 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -173.19 127.65 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.89 157.73 36.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -170.55 138.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.65 156.02 17.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 m -60.56 -32.09 71.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.96 95.93 6.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.39 -46.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -87.58 53.17 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 ttm105 -98.56 -34.0 10.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.13 -30.98 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.23 83.63 15.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.53 96.18 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.466 2.111 . . . . 0.0 112.268 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -159.77 62.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.01 -162.76 1.39 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.654 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.43 -38.47 3.01 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.41 ' CZ ' ' HE3' ' A' ' 23' ' ' MET . 46.3 p90 -59.62 -28.34 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.125 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.0 m -72.6 -36.39 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.803 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.49 -29.98 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.86 -30.42 26.34 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.97 -43.4 71.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.817 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.55 -171.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -167.22 147.02 5.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.051 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 60.38 96.81 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.15 110.5 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.397 2.065 . . . . 0.0 112.31 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.96 124.94 17.13 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.472 2.114 . . . . 0.0 112.209 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.33 121.22 44.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.68 174.03 10.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.453 2.102 . . . . 0.0 112.288 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -124.03 162.25 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 68.79 -68.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.33 125.07 29.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.783 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.97 176.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -104.36 148.7 36.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 C--O 1.249 1.048 0 C-N-CA 122.591 2.194 . . . . 0.0 112.274 -179.911 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.742 0.306 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.94 155.52 20.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.8 149.31 53.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.63 -27.81 21.84 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.592 2.195 . . . . 0.0 112.343 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.21 159.38 19.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.36 154.91 39.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.58 142.8 11.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -78.27 56.79 5.94 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.561 2.174 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 94.7 m -65.72 -176.89 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m 68.68 -68.37 0.18 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.87 69.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.842 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.53 -75.72 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.376 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.4 p -73.85 -165.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.676 0.274 . . . . 0.0 110.755 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.49 146.05 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 111.27 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.0 t-105 -77.51 160.23 28.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.436 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.3 OUTLIER -135.74 143.13 45.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.783 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.66 -25.77 12.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.33 -30.92 52.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -142.34 17.74 2.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 41.97 76.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.473 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -170.51 141.15 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.78 149.72 37.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.42 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -153.58 143.83 22.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.62 179.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -16.98 59.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.264 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.72 107.6 18.69 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.799 0.333 . . . . 0.0 111.249 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.44 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.6 p -85.86 53.0 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 111.18 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -101.57 31.11 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.726 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.12 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.36 97.34 35.43 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.73 -166.9 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.397 2.065 . . . . 0.0 112.312 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 m80 65.28 58.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.77 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -129.49 118.29 21.86 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.959 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -24.99 67.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 34' ' ' SER . 42.9 p90 -80.41 -1.8 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.581 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 m -109.82 -41.04 4.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.23 -28.68 69.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.561 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.89 -25.21 38.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.356 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.1 t -91.55 23.64 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 111.202 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.08 -58.95 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -175.99 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.75 91.32 38.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.93 157.78 57.2 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.487 2.124 . . . . 0.0 112.244 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.21 122.5 10.75 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.565 2.177 . . . . 0.0 112.26 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.43 90.78 49.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.43 -172.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.523 2.148 . . . . 0.0 112.386 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -69.71 118.14 12.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -110.43 -54.32 2.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 tp -110.29 117.59 34.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.26 162.32 21.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -140.03 153.35 69.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo . . . . . 0 C--O 1.25 1.104 0 C-N-CA 122.558 2.172 . . . . 0.0 112.283 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.821 0.343 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -89.96 172.46 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.403 ' CB ' ' CD ' ' A' ' 4' ' ' PRO . . . -69.45 -61.16 3.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 3' ' ' ALA . 56.1 Cg_endo -70.53 -173.54 0.85 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.489 2.126 . . . . 0.0 112.3 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.92 91.12 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 t -129.8 175.22 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 62.65 53.53 1.99 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.91 57.21 6.0 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.712 2.275 . . . . 0.0 112.307 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.25 -67.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -57.63 152.56 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 60.7 101.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.97 -100.79 1.81 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.677 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -57.85 -168.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.5 m -153.79 143.57 21.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.479 ' CG ' ' N ' ' A' ' 16' ' ' SER . 15.0 t-105 -66.84 164.07 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.758 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -143.1 116.97 9.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.768 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.97 -23.73 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.205 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.42 -27.38 24.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.158 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.86 22.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.393 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 21.3 m-20 44.49 79.5 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.533 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.27 150.35 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.89 141.17 28.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.745 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.7 tpt -138.67 135.7 35.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.804 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.19 162.27 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -75.15 -30.18 60.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.84 61.96 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.0 0.429 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.3 59.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.643 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.19 45.35 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.338 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.53 -31.32 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.08 0.467 . . . . 0.0 110.309 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.621 ' O ' ' HD2' ' A' ' 32' ' ' PRO . . . -78.54 -23.0 46.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.887 ' HB3' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 54.87 -97.85 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 118.486 -0.768 . . . . 0.0 111.706 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.887 ' CD ' ' HB3' ' A' ' 31' ' ' ARG . 55.4 Cg_endo -68.78 71.08 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 CA-C-N 121.726 1.652 . . . . 0.0 112.089 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.16 40.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.414 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 3.1 m -168.76 133.92 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.38 -31.2 62.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 15.8 p90 -65.74 -33.8 76.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.016 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -68.42 -31.62 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.797 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -30.31 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.85 -43.09 6.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.425 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.79 -26.69 63.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.311 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.45 82.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 64.39 -78.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.93 80.47 1.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.53 154.69 55.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.653 2.235 . . . . 0.0 112.302 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.77 157.1 59.36 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.569 2.179 . . . . 0.0 112.212 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -145.79 145.44 25.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.95 143.95 80.43 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.49 2.127 . . . . 0.0 112.26 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -92.1 88.69 6.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.778 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.23 -66.94 0.18 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 67.21 -74.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 pp -130.36 177.8 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.4 ' CB ' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 178.38 -54.09 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 52' ' ' TRP . 55.5 Cg_exo . . . . . 0 C--O 1.25 1.084 0 C-N-CA 122.396 2.064 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.805 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.35 156.36 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.81 140.85 67.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.94 -44.67 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.88 66.06 2.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 m -116.7 119.37 35.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -137.05 156.86 75.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -66.78 66.83 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.832 2.354 . . . . 0.0 112.207 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.82 111.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -155.83 94.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -163.71 -67.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.38 30.01 0.18 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.627 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -141.23 149.04 40.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.859 0.361 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 p -82.84 -177.63 6.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.227 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 37.0 t-105 -118.55 158.3 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.511 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.58 130.24 29.91 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.16 -21.14 18.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.273 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.11 -32.97 24.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.81 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.67 22.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.086 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 4.2 m-20 43.85 80.69 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.337 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -171.81 127.91 0.62 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.5 m -57.94 167.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.418 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -162.31 126.85 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.922 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.49 150.16 32.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -28.6 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.57 -0.63 57.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.621 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -64.5 -16.6 62.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.659 0.266 . . . . 0.0 111.281 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 m -84.7 53.01 2.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.905 0.384 . . . . 0.0 111.039 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -96.41 40.77 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.86 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.28 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.02 87.94 23.18 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.46 59.62 6.2 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.572 2.181 . . . . 0.0 112.394 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.83 59.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.87 -163.06 1.1 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.635 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.02 -53.97 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 23' ' ' MET . 48.5 p90 -63.48 -27.08 69.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.42 -31.51 48.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.68 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.88 -31.38 70.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.78 -29.03 7.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.434 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.41 22.06 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.73 -34.58 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.271 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.5 72.93 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.309 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' N ' ' HD3' ' A' ' 44' ' ' PRO . . . -177.45 64.33 0.2 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.309 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 43' ' ' ALA . 12.8 Cg_exo -70.13 110.59 2.67 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.706 2.271 . . . . 0.0 112.247 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.39 -172.28 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.511 2.141 . . . . 0.0 112.158 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -162.25 67.9 2.05 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.053 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.33 138.95 73.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.616 2.211 . . . . 0.0 112.399 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 58.83 175.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.027 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.11 32.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.8 165.13 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.81 176.44 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.0 m95 60.23 105.83 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo . . . . . 0 C--O 1.249 1.036 0 C-N-CA 122.46 2.107 . . . . 0.0 112.312 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.87 0.367 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.54 156.45 48.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.986 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.93 61.64 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.12 -46.18 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.549 2.166 . . . . 0.0 112.294 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -154.1 -176.14 26.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.2 m -119.4 -77.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.999 0.428 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.16 165.25 19.0 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.94 67.42 5.88 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.592 2.195 . . . . 0.0 112.263 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t 70.5 117.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.3 -162.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.803 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -93.96 26.27 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.031 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.44 28.0 0.38 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.209 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -94.02 -165.33 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.927 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.68 148.57 42.55 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.922 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.0 t-105 -76.89 164.49 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.555 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -143.34 141.21 30.87 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.976 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.61 -20.91 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.33 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -54.18 -35.54 62.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -137.57 17.62 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.08 0.467 . . . . 0.0 111.208 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.488 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 3.1 m-20 45.64 70.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.424 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.6 176.55 8.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.67 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.77 146.95 39.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 36' ' ' PHE . 3.1 tpt -165.28 135.1 3.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -57.36 152.1 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 p -86.4 -35.16 19.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.071 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.97 -27.59 2.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.371 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -59.7 -40.32 87.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 p -86.52 52.71 2.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.961 0.41 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -96.55 36.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.12 -41.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.3 86.53 57.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.747 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.73 110.55 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.614 2.209 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -159.04 59.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.454 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -165.65 141.93 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.64 -38.7 80.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.083 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.454 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 20.8 p90 -59.17 -21.87 60.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.335 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -80.78 -38.47 28.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.937 0.398 . . . . 0.0 110.557 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -27.98 68.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.653 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.97 -26.58 31.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.429 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.01 -28.28 68.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.18 117.63 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -119.87 -42.56 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.34 66.79 2.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.488 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 32.1 Cg_exo -57.12 -45.68 33.93 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.574 2.183 . . . . 0.0 112.489 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 44' ' ' PRO . 67.3 Cg_exo -51.17 168.96 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.336 2.024 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.8 103.81 15.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.66 170.86 13.0 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.404 2.069 . . . . 0.0 112.345 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -110.77 80.18 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 60.48 93.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tt -103.18 23.18 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.77 167.06 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.826 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 24.2 m95 60.57 89.5 0.1 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.544 2.163 . . . . 0.0 112.29 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.786 0.326 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.69 80.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.407 ' N ' ' CD ' ' A' ' 4' ' ' PRO . . . -86.72 -52.69 0.43 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 3' ' ' ALA . 32.0 Cg_exo -58.35 123.49 13.73 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.431 2.087 . . . . 0.0 112.196 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.07 -142.59 15.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.569 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -106.21 -24.42 12.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.354 . . . . 0.0 111.159 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 63.02 128.18 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.53 61.72 4.4 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.442 2.095 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -176.44 -60.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.1 m 60.97 175.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.65 -67.69 0.2 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.36 44.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.536 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.0 152.64 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.334 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 p -88.8 144.2 26.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.287 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 25.4 t-105 -76.65 160.93 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.505 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.439 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -139.09 115.92 10.8 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.95 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.27 -23.75 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -30.13 56.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.09 19.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.282 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 11.8 m-20 41.67 78.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.558 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.6 130.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.54 162.09 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 ttt -166.79 135.78 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.52 154.86 13.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.5 t -58.24 -20.53 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.298 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.0 -145.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.1 -64.08 0.39 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.698 0.285 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -84.58 52.86 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -83.93 1.89 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.359 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.8 -48.18 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.817 0.341 . . . . 0.0 111.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -108.89 85.9 3.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.51 107.01 2.29 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.586 2.191 . . . . 0.0 112.264 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -155.8 60.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.11 -162.6 1.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -114.81 -40.88 3.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 54.4 p90 -62.46 -47.63 83.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 27.7 p -77.96 -27.44 49.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.46 -15.51 62.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.287 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.42 -29.16 3.27 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.767 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.0 p -62.45 -33.59 75.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.949 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.42 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.267 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -174.09 132.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.74 118.55 67.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.22 109.73 1.61 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.367 2.045 . . . . 0.0 112.172 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.34 -168.09 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.45 2.1 . . . . 0.0 112.32 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.93 154.73 86.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.59 -164.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.589 2.193 . . . . 0.0 112.174 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 66.72 -71.41 0.1 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 69.46 -67.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mt -125.87 -60.07 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mt -175.65 161.32 2.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -115.37 160.94 32.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo . . . . . 0 C--O 1.249 1.03 0 C-N-CA 122.647 2.231 . . . . 0.0 112.27 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.914 0.388 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -97.22 158.56 15.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' N ' ' CD ' ' A' ' 4' ' ' PRO . . . -87.67 -52.75 0.4 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 3' ' ' ALA . 52.3 Cg_exo -52.51 -175.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.484 2.122 . . . . 0.0 112.31 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.82 -45.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 m -89.54 -8.17 53.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.614 0.245 . . . . 0.0 111.225 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.412 ' N ' ' HD2' ' A' ' 8' ' ' PRO . . . -69.14 -60.31 4.34 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.644 0.259 . . . . 0.0 111.364 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 7' ' ' ALA . 50.7 Cg_endo -69.0 56.26 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.541 2.161 . . . . 0.0 112.445 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.7 p -179.58 70.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -153.25 43.01 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.5 -56.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.2 29.04 1.66 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.2 p -94.18 -164.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.723 0.296 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -155.34 126.37 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.058 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 16' ' ' SER . 20.4 t-105 -57.97 162.42 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.739 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.475 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -142.52 126.59 17.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.15 -21.84 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.299 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -30.42 38.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.0 20.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.449 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 42.39 79.75 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.674 179.654 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -178.71 134.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.0 p -62.91 160.09 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.11 125.73 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.49 163.68 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -30.32 67.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.39 77.66 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -166.06 -42.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.7 p -107.71 52.65 0.71 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.977 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -97.36 38.03 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.46 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.47 87.38 36.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.2 103.87 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.608 2.205 . . . . 0.0 112.298 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -158.04 61.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.443 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 48.2 m -167.56 145.13 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -57.02 -43.45 81.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.199 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 9.8 p90 -60.26 -27.48 67.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.071 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.2 t -78.33 -37.19 45.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.8 -29.48 66.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.43 -39.9 4.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.664 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -76.67 -54.8 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.86 -173.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.282 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.34 -84.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.267 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.87 57.43 16.11 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-O 120.788 0.327 . . . . 0.0 111.225 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.84 154.96 70.13 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.581 2.187 . . . . 0.0 112.422 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.71 -65.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.64 2.227 . . . . 0.0 112.318 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.19 77.91 74.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.09 -167.83 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.602 2.201 . . . . 0.0 112.397 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.82 113.2 7.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 62.33 74.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.773 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -66.42 136.49 55.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.009 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt 58.04 179.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.564 ' CE3' ' N ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER 173.5 64.55 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.527 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.668 2.246 . . . . 0.0 112.247 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t 48.13 -171.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.328 . . . . 0.0 111.287 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.9 t -160.33 140.96 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.1 t-105 -75.48 164.52 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -136.2 123.08 21.29 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.68 -23.22 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.302 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -55.51 -34.57 64.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.23 21.4 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 5.9 p-10 42.25 80.67 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.492 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.58 141.92 1.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.33 158.79 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.3 131.35 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.58 176.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.9 m -94.3 0.52 55.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.363 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 55.65 3.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.85 0.357 . . . . 0.0 111.27 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -175.88 34.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.003 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.91 44.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 27.18 7.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 178.88 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.312 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -106.48 91.64 6.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.239 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.34 100.76 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.605 2.203 . . . . 0.0 112.208 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -157.99 61.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.43 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -174.06 146.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -65.25 -41.61 94.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.256 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 26.8 p90 -59.89 -20.2 55.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.272 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.4 m -73.77 -33.43 64.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 110.653 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.06 -30.67 71.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.92 -32.77 31.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.367 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.67 -50.62 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.283 -179.912 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -92.85 -169.65 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.712 0.291 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.96 152.01 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.202 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.4 t-105 -75.3 162.06 28.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.67 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.461 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -143.11 133.25 24.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.9 -20.4 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.36 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -52.11 -30.51 26.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.87 21.79 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.271 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.466 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 1.7 m-20 43.26 77.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.471 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -177.76 135.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.69 156.48 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.02 121.87 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.58 169.64 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -24.71 58.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.8 64.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 111.224 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.49 37.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.6 t -160.91 41.35 0.16 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -78.29 -2.44 37.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.191 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.82 -33.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.68 0.276 . . . . 0.0 111.362 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 111.95 9.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.138 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -85.9 -164.98 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.827 2.352 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 67.2 61.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.107 0.479 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 2.4 m -159.13 120.98 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.928 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.18 -27.42 68.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.249 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 23.9 p90 -71.89 -18.49 62.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.056 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.7 m -77.29 -33.72 55.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.852 0.358 . . . . 0.0 110.661 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.08 -25.88 15.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -97.61 28.99 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.38 -0.288 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -119.86 -172.64 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.666 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -158.35 155.12 28.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' ' 16' ' ' SER . 4.7 t-105 -76.44 165.18 25.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.525 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -147.55 117.33 7.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.49 -22.99 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.51 -26.3 12.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.06 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.7 20.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.324 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.502 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 42.33 80.22 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.471 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 172.36 142.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.29 162.98 16.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.689 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.408 ' HB3' ' CG ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -160.7 121.13 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.07 173.81 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -22.08 52.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.44 -59.78 4.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.248 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 m -69.82 64.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.34 39.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -112.63 -24.85 9.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.19 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' HB3' ' HD2' ' A' ' 31' ' ' ARG . . . -110.87 -28.89 8.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.38 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 1.2 mpt_? -120.22 72.01 18.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.144 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.74 79.25 3.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.613 2.209 . . . . 0.0 112.222 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -162.04 63.75 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.605 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.483 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -154.02 141.34 19.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.91 -32.22 70.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.405 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.483 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 5.3 p90 -62.31 -19.36 63.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.709 0.29 . . . . 0.0 111.089 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.2 -50.67 8.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 110.794 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 38' ' ' LEU . 4.0 mm? -57.17 -28.76 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.06 -29.56 33.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.354 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.0 t -77.8 -53.04 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 110.734 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 179.813 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.6 p -98.27 -164.6 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.2 t -157.51 150.92 23.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.492 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 21.0 t-105 -83.29 162.99 20.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.728 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.474 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -143.16 154.35 43.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.16 -13.73 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.635 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -50.43 -32.06 16.76 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.11 25.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.492 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.9 OUTLIER 46.84 79.39 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.948 0.404 . . . . 0.0 111.09 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -175.51 124.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.766 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 15' ' ' TRP . 27.4 p -69.56 154.8 41.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.402 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -157.02 127.45 6.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.984 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' OD1' ' HB3' ' A' ' 26' ' ' ALA . 19.1 p30 -65.51 176.13 1.56 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.1 m -64.38 -22.85 67.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' A' ' 24' ' ' ASP . . . -53.41 -35.1 60.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.379 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 5.1 t -66.52 -46.98 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -86.37 52.95 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -97.65 -31.76 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.86 -28.45 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.863 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.27 93.43 8.08 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.676 0.274 . . . . 0.0 111.409 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.68 78.33 3.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.579 2.186 . . . . 0.0 112.104 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -161.43 63.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.445 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -153.91 136.07 14.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -41.19 78.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 10.1 p90 -60.75 -25.59 66.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.795 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.94 -31.52 71.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.619 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 38' ' ' LEU . 4.4 tt -60.75 -32.75 72.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.62 -34.52 56.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.253 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.48 -60.18 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.739 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.428 179.787 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 p 48.19 -164.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.684 0.278 . . . . 0.0 111.295 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -154.09 132.51 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.459 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 32.3 t-105 -58.87 160.31 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.688 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.434 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -139.91 131.8 27.64 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.66 -19.93 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.317 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.4 -31.02 21.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.01 22.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 44.78 80.58 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.875 0.369 . . . . 0.0 111.223 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -177.46 125.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 99.3 m -59.64 155.96 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.26 139.52 9.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.23 163.17 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.5 t -81.19 -29.91 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.07 95.39 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.4 t -173.6 -45.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -94.62 41.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -70.97 -22.78 62.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.29 -51.86 3.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.328 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.01 131.77 15.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.087 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.73 112.65 3.17 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.605 2.204 . . . . 0.0 112.327 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.13 59.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 m -164.19 142.15 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -43.88 96.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.042 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.461 ' CZ ' ' CB ' ' A' ' 34' ' ' SER . 25.8 p90 -62.18 -28.36 69.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.9 m -76.08 -32.88 59.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.712 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.89 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.03 -36.0 11.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.341 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.8 t -61.8 -26.78 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.821 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.1 p -91.63 143.05 26.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 p -79.49 -177.25 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.192 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.3 t-105 -122.01 160.56 24.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.375 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.427 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 1.1 m -136.57 115.14 11.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.856 0.36 . . . . 0.0 111.067 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.87 -23.07 25.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.61 -30.61 61.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.83 20.5 1.28 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.318 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 66.7 m-20 44.87 82.13 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.554 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.13 135.74 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -77.02 163.57 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.744 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.2 128.85 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.83 158.44 10.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -25.36 55.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.064 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.89 100.15 12.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -48.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.0 p -89.38 54.06 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -90.1 -28.15 19.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.84 -42.05 2.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.365 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -108.18 86.77 3.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.142 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.76 87.31 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.581 2.188 . . . . 0.0 112.17 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -161.03 63.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.46 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -150.07 135.02 17.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.79 -40.48 75.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 10.5 p90 -61.9 -31.45 71.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 43.6 t -71.83 -30.38 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.37 -29.56 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.86 -29.62 10.41 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -29.96 58.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.756 0.313 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 m -135.7 -171.64 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.74 138.83 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.206 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.474 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 31.0 t-105 -56.2 159.66 3.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.72 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -138.59 129.24 26.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.901 0.381 . . . . 0.0 111.042 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.78 -21.87 18.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.322 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -52.44 -31.49 34.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.1 22.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 5.3 p-10 42.1 80.14 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.628 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -178.46 123.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.5 p -65.54 135.98 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.771 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.53 146.39 28.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.9 167.59 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.054 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.9 m -102.62 0.42 33.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.409 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.18 -34.5 60.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 111.192 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -61.71 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.68 53.33 2.78 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -71.97 -9.57 58.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.55 -31.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.21 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -97.87 112.28 61.25 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -179.628 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.19 127.82 13.15 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.365 2.043 . . . . 0.0 112.226 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.12 45.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.463 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -174.26 146.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.56 -38.72 87.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.221 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.463 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 9.5 p90 -58.48 -24.13 59.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.114 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -67.24 -36.04 80.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.364 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.64 -30.23 69.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.77 -39.73 47.12 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.218 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 m -75.23 -47.77 26.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.588 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.14 179.888 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 t -142.84 148.44 37.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.803 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 p -84.41 161.93 20.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 21.5 t-105 -105.08 159.82 15.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.417 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -132.23 144.05 50.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 111.047 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.37 -22.05 12.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.285 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -51.92 -35.06 44.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.23 23.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.029 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 47.01 81.03 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.209 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -172.18 127.53 0.57 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.75 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 15' ' ' TRP . 16.6 p -80.7 164.89 22.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.17 133.04 5.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.27 153.12 27.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -20.14 65.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.11 -24.73 10.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.566 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 t -58.14 -47.33 83.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 m -86.88 52.78 2.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.527 ' NH1' ' HB2' ' A' ' 30' ' ' ALA . 7.8 ppt_? -61.55 -28.06 69.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . . . -113.02 -55.49 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.05 161.2 37.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.107 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.25 160.96 45.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.399 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -176.99 40.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.72 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.431 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -177.4 150.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.16 -46.89 79.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 10.1 p90 -57.83 -28.97 64.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.434 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 9.1 t -71.89 -33.64 68.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 38' ' ' LEU . 3.5 mm? -59.83 -30.09 68.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.28 -30.33 22.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.411 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -83.61 -51.88 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.598 -0.201 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.4 t -150.85 138.65 19.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.3 p -92.3 178.38 5.86 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.234 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 14.3 t-105 -108.55 161.08 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.477 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.454 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -144.21 143.67 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.956 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.24 -18.17 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.334 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.33 -31.01 42.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.95 22.49 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.212 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.477 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 46.13 82.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.381 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -175.18 175.35 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.64 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.11 143.61 42.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.813 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.28 127.56 39.78 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.32 151.67 27.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.15 -29.89 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.6 66.74 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.223 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -176.35 34.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.87 38.92 0.06 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -106.29 41.57 1.4 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -166.2 -40.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.571 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -138.79 96.85 9.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.662 0.268 . . . . 0.0 111.505 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.96 101.18 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.574 2.183 . . . . 0.0 112.16 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -157.68 61.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.446 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -168.14 144.03 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.48 -45.45 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 10.1 p90 -61.14 -19.79 61.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.7 t -79.94 -38.39 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.71 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -30.19 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.71 -41.41 12.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.37 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.6 -42.26 71.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 120.449 -0.084 . . . . 0.0 112.951 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.3 p -56.88 -166.79 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.303 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.75 129.35 18.08 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.49 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 10.6 t-105 -55.0 162.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.587 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.464 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 1.2 m -135.22 129.16 33.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.41 -21.73 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.315 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.76 -35.34 61.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.961 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.76 21.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.49 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 1.6 m-20 44.75 78.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.357 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.35 139.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.65 159.17 25.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.448 ' HB3' ' CG ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -168.81 137.52 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.19 161.05 5.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.3 m -83.86 -32.09 25.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.95 96.31 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.35 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.32 51.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.334 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 4.1 ttt180 -78.64 -3.4 43.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.007 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . 177.72 -32.15 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 mmt-85 -71.78 112.68 15.07 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.143 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.16 -163.98 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.535 2.157 . . . . 0.0 112.216 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m80 67.89 61.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.419 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 14.0 m -161.77 138.2 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.107 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.8 -16.56 16.56 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.29 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CG ' ' HB3' ' A' ' 23' ' ' MET . 35.5 p90 -70.52 -45.85 64.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.302 . . . . 0.0 111.108 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 6.4 p -74.28 -23.74 59.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.848 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.13 -27.75 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.48 -42.64 2.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -25.25 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 111.081 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.245 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 p -80.68 -175.61 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 m -152.1 142.86 22.9 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.99 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.495 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.2 t-105 -79.72 164.91 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.495 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -138.14 125.18 21.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.52 -20.98 19.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.296 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -54.67 -31.64 57.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.25 21.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.225 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER 44.73 81.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.351 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -173.33 139.56 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.762 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -77.83 160.9 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.8 124.43 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -63.02 166.31 5.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -26.88 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.02 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.11 -30.6 64.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.27 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 t -90.52 46.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 t -161.55 39.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -109.27 37.79 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.03 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.188 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -113.05 72.43 1.49 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.17 90.45 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.448 2.098 . . . . 0.0 112.238 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -161.19 63.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.65 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.462 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 72.7 m -161.68 144.32 11.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.69 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.545 ' HA ' HD21 ' A' ' 38' ' ' LEU . 19.1 t70 -54.94 -39.71 69.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.253 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.462 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 23.4 p90 -64.43 -16.56 62.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.957 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.9 m -87.33 -54.04 4.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.639 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -61.14 -19.78 61.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.682 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.28 -31.69 7.84 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.25 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.3 t -68.05 -40.28 82.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.861 0.363 . . . . 0.0 110.785 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.224 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 60.5 p -94.59 -167.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -159.3 132.27 6.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.291 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.505 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 8.6 t-105 -61.12 162.68 6.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.484 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -140.45 137.98 34.34 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 110.951 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.82 -23.54 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.71 -35.81 66.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.804 ' O ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -134.29 18.41 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.505 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 41.68 74.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.489 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' N ' ' CZ3' ' A' ' 15' ' ' TRP . 3.1 mmtm -170.55 172.13 6.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.616 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.25 142.17 34.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.763 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.437 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -148.71 141.82 24.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.791 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -59.96 154.77 18.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 -179.791 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.2 t -67.43 -28.44 67.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.94 100.49 13.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 p -170.25 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.7 p -86.43 52.98 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -42.13 44.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.003 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.96 -29.58 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.67 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.06 88.16 3.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.425 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.408 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 75.4 Cg_endo -76.82 92.6 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.577 2.185 . . . . 0.0 112.219 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 32' ' ' PRO . 92.9 m-70 -159.33 62.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.473 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 1.9 m -160.41 139.33 10.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -34.33 62.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.259 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CZ ' ' CB ' ' A' ' 34' ' ' SER . 6.6 p90 -57.32 -27.79 62.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.275 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.79 -40.6 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.452 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.5 mm? -65.24 -25.51 67.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.548 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.67 -27.26 32.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.345 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.5 t -61.35 -34.09 74.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.494 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.12 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.6 p -77.11 -168.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.846 0.355 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.83 146.11 21.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.47 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 20.0 t-105 -77.65 161.13 28.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.691 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -133.37 143.41 48.93 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.15 -22.92 12.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.271 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.94 -31.6 41.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -148.32 21.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.47 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 43.93 79.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.927 0.394 . . . . 0.0 111.326 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HB2' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -171.24 132.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.901 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.39 161.28 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.45 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -167.11 140.16 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.824 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.89 160.67 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.5 t -71.87 -31.65 66.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.29 97.34 7.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.07 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 m -85.67 52.54 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -111.41 -26.73 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.087 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.35 -32.24 10.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.23 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.98 84.2 4.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.26 108.52 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.548 2.165 . . . . 0.0 112.214 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -155.75 60.49 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.759 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.457 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -169.51 148.98 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.91 -30.11 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.174 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 12.0 p90 -58.88 -42.92 90.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.299 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.521 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 9.4 p -74.45 -31.94 62.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -15.95 63.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.22 -19.82 9.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.737 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 p -74.81 -5.8 45.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.631 0.253 . . . . 0.0 111.309 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 111.347 -179.446 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.8 m -149.29 174.09 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.699 0.285 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.37 152.75 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.962 0.411 . . . . 0.0 111.154 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CG ' ' N ' ' A' ' 16' ' ' SER . 7.0 t-105 -79.55 164.79 23.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.494 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.493 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -140.51 140.67 35.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.963 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.69 -18.37 15.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.416 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -33.52 22.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.729 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -149.09 21.98 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.835 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 72.7 m-20 44.31 80.2 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.345 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.729 ' HB2' HD12 ' A' ' 19' ' ' LEU . 5.3 mttt -173.19 127.65 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.781 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.89 157.73 36.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -170.55 138.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.65 156.02 17.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 m -60.56 -32.09 71.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.96 95.93 6.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.39 -46.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -87.58 53.17 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 ttm105 -98.56 -34.0 10.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.13 -30.98 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.23 83.63 15.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.53 96.18 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.466 2.111 . . . . 0.0 112.268 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -159.77 62.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.01 -162.76 1.39 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.654 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.43 -38.47 3.01 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -59.62 -28.34 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.125 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.0 m -72.6 -36.39 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.803 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.49 -29.98 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.86 -30.42 26.34 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.97 -43.4 71.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.817 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.154 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.376 -0.29 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.4 p -73.85 -165.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.676 0.274 . . . . 0.0 110.755 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.49 146.05 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 111.27 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.471 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.0 t-105 -77.51 160.23 28.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.436 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.3 OUTLIER -135.74 143.13 45.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.783 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.66 -25.77 12.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.33 -30.92 52.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.809 ' O ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -142.34 17.74 2.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 41.97 76.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.473 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -170.51 141.15 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.78 149.72 37.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.439 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -153.58 143.83 22.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.62 179.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -16.98 59.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.264 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.72 107.6 18.69 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.799 0.333 . . . . 0.0 111.249 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.44 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.6 p -85.86 53.0 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 111.18 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -101.57 31.11 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.726 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.12 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.36 97.34 35.43 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.73 -166.9 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.397 2.065 . . . . 0.0 112.312 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 m80 65.28 58.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.77 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -129.49 118.29 21.86 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.959 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -24.99 67.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' A' ' 34' ' ' SER . 42.9 p90 -80.41 -1.8 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.581 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 m -109.82 -41.04 4.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 39' ' ' GLY . 4.4 pp -64.23 -28.68 69.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.561 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.734 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -85.89 -25.21 38.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.356 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.1 t -91.55 23.64 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 111.202 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 111.066 179.872 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.677 -0.169 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -57.85 -168.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.5 m -153.79 143.57 21.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.479 ' CG ' ' N ' ' A' ' 16' ' ' SER . 15.0 t-105 -66.84 164.07 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.758 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -143.1 116.97 9.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.768 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.97 -23.73 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.205 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.42 -27.38 24.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.158 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.616 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -150.86 22.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.393 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.438 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 21.3 m-20 44.49 79.5 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.533 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.616 ' HB2' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -176.27 150.35 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.89 141.17 28.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.745 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.7 tpt -138.67 135.7 35.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.804 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.19 162.27 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -75.15 -30.18 60.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.84 61.96 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.0 0.429 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.3 59.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.643 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.19 45.35 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.338 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.53 -31.32 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.08 0.467 . . . . 0.0 110.309 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.616 ' O ' ' HD2' ' A' ' 32' ' ' PRO . . . -78.54 -23.0 46.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.912 ' HB3' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 54.87 -97.85 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 118.486 -0.768 . . . . 0.0 111.706 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.912 ' CD ' ' HB3' ' A' ' 31' ' ' ARG . 55.4 Cg_endo -68.78 71.08 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 CA-C-N 121.726 1.652 . . . . 0.0 112.089 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.16 40.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.407 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 3.1 m -168.76 133.92 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.38 -31.2 62.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 15.8 p90 -65.74 -33.8 76.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.016 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -68.42 -31.62 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.797 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -30.31 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.85 -43.09 6.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.425 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.79 -26.69 63.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.311 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.13 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.627 -0.189 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -141.23 149.04 40.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.859 0.361 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 p -82.84 -177.63 6.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.227 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.459 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 37.0 t-105 -118.55 158.3 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.511 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.58 130.24 29.91 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.16 -21.14 18.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.273 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.11 -32.97 24.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.81 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -148.67 22.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.086 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 4.2 m-20 43.85 80.69 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.337 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.763 ' HB2' HD12 ' A' ' 19' ' ' LEU . 10.3 mttp -171.81 127.91 0.62 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.5 m -57.94 167.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.429 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -162.31 126.85 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.922 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.49 150.16 32.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -28.6 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.57 -0.63 57.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.621 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -64.5 -16.6 62.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.659 0.266 . . . . 0.0 111.281 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 m -84.7 53.01 2.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.905 0.384 . . . . 0.0 111.039 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -96.41 40.77 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.86 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.28 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.02 87.94 23.18 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.46 59.62 6.2 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.572 2.181 . . . . 0.0 112.394 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.83 59.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.87 -163.06 1.1 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.635 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.02 -53.97 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.429 ' CD2' ' HB3' ' A' ' 23' ' ' MET . 48.5 p90 -63.48 -27.08 69.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.42 -31.51 48.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.68 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.88 -31.38 70.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.78 -29.03 7.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.434 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.41 22.06 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.271 -179.824 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -94.02 -165.33 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.927 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.68 148.57 42.55 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.922 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.0 t-105 -76.89 164.49 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.555 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -143.34 141.21 30.87 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.976 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.61 -20.91 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.33 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -54.18 -35.54 62.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.797 ' O ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -137.57 17.62 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.08 0.467 . . . . 0.0 111.208 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 3.1 m-20 45.64 70.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.424 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.6 176.55 8.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.67 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.77 146.95 39.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 36' ' ' PHE . 3.1 tpt -165.28 135.1 3.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -57.36 152.1 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 7.0 p -86.4 -35.16 19.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.071 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.97 -27.59 2.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.371 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -59.7 -40.32 87.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 p -86.52 52.71 2.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.961 0.41 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -96.55 36.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.12 -41.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.3 86.53 57.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.747 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.73 110.55 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.614 2.209 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -159.04 59.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.464 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -165.65 141.93 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.64 -38.7 80.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.083 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 20.8 p90 -59.17 -21.87 60.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.335 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -80.78 -38.47 28.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.937 0.398 . . . . 0.0 110.557 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -27.98 68.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.653 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.97 -26.58 31.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.429 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 3.9 t -61.01 -28.28 68.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 -179.909 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.0 152.64 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.334 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 p -88.8 144.2 26.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.287 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.472 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 25.4 t-105 -76.65 160.93 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.505 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.439 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -139.09 115.92 10.8 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.95 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.27 -23.75 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -30.13 56.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.09 19.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.282 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.472 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 11.8 m-20 41.67 78.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.558 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.6 130.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.54 162.09 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 ttt -166.79 135.78 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.52 154.86 13.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.5 t -58.24 -20.53 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.298 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.0 -145.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.1 -64.08 0.39 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.698 0.285 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -84.58 52.86 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -83.93 1.89 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.359 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.8 -48.18 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.817 0.341 . . . . 0.0 111.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -108.89 85.9 3.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.51 107.01 2.29 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.586 2.191 . . . . 0.0 112.264 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -155.8 60.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.406 ' HG ' ' HE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -153.11 -162.6 1.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -114.81 -40.88 3.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 54.4 p90 -62.46 -47.63 83.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 27.7 p -77.96 -27.44 49.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.46 -15.51 62.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.287 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.42 -29.16 3.27 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.767 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.0 p -62.45 -33.59 75.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.949 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.267 -179.871 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.2 p -94.18 -164.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.723 0.296 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -155.34 126.37 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.058 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 16' ' ' SER . 20.4 t-105 -57.97 162.42 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.739 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.475 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -142.52 126.59 17.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.15 -21.84 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.299 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -30.42 38.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HE2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -147.0 20.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 42.39 79.75 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.674 179.654 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HE2' HD22 ' A' ' 19' ' ' LEU . 9.7 pttt -178.71 134.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.0 p -62.91 160.09 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.11 125.73 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.49 163.68 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -30.32 67.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.39 77.66 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -166.06 -42.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.7 p -107.71 52.65 0.71 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.977 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -97.36 38.03 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.46 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.47 87.38 36.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.2 103.87 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.608 2.205 . . . . 0.0 112.298 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -158.04 61.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.456 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 48.2 m -167.56 145.13 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -57.02 -43.45 81.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.199 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 9.8 p90 -60.26 -27.48 67.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.071 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 3.2 t -78.33 -37.19 45.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.8 -29.48 66.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.43 -39.9 4.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.664 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -76.67 -54.8 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 37' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.282 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.788 0.328 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.56 124.19 24.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.486 ' HB3' ' CG2' ' A' ' 6' ' ' THR . . . -163.73 143.14 6.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.179 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -61.95 77.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.614 2.209 . . . . 0.0 112.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 6' ' ' THR . . . 115.44 -123.86 6.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.714 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 3' ' ' ALA . 0.1 OUTLIER 44.36 104.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.162 0.506 . . . . 0.0 111.762 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 8' ' ' PRO . . . -108.42 163.8 16.16 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.164 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 7' ' ' ALA . 97.1 Cg_endo -78.89 54.59 5.2 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.721 2.281 . . . . 0.0 112.634 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 52.17 96.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.6 p -152.66 123.53 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.16 91.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.56 -110.53 3.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t 48.13 -171.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.328 . . . . 0.0 111.287 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.9 t -160.33 140.96 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.1 t-105 -75.48 164.52 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -136.2 123.08 21.29 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.68 -23.22 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.302 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -55.51 -34.57 64.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.23 21.4 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 5.9 p-10 42.25 80.67 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.492 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.58 141.92 1.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.33 158.79 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.3 131.35 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.58 176.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.9 m -94.3 0.52 55.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.363 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 55.65 3.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.85 0.357 . . . . 0.0 111.27 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -175.88 34.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.003 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.91 44.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 27.18 7.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 178.88 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.312 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -106.48 91.64 6.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.239 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.34 100.76 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.605 2.203 . . . . 0.0 112.208 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -157.99 61.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.43 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -174.06 146.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -65.25 -41.61 94.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.256 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 26.8 p90 -59.89 -20.2 55.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.272 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.4 m -73.77 -33.43 64.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 110.653 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.06 -30.67 71.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.92 -32.77 31.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.367 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.67 -50.62 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -65.61 -173.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.283 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 41' ' ' ALA . . . 68.09 12.04 8.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.574 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.66 95.29 0.04 OUTLIER Pre-proline 0 C--N 1.332 -0.158 0 CA-C-O 120.603 0.239 . . . . 0.0 111.508 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.466 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 51.5 Cg_exo -52.56 -46.42 33.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.397 2.065 . . . . 0.0 112.485 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 44' ' ' PRO . 91.0 Cg_endo -80.51 179.39 6.14 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.317 2.011 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.94 146.66 7.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.69 -167.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.471 2.114 . . . . 0.0 112.22 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -75.87 -42.68 48.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.07 -63.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -176.47 160.61 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mp -126.89 173.88 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -117.08 88.79 28.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo . . . . . 0 C--O 1.25 1.075 0 C-N-CA 122.571 2.181 . . . . 0.0 112.356 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.773 0.321 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -146.89 -179.7 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.792 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -177.04 -62.35 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.002 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.792 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 61.2 Cg_endo -73.16 149.68 46.47 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.576 2.184 . . . . 0.0 112.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.97 -54.05 2.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.551 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 m -96.93 38.49 1.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.755 0.312 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.08 106.84 0.71 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.81 63.41 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.431 2.087 . . . . 0.0 112.317 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 m 57.45 71.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.4 m -93.13 -46.07 7.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -157.14 136.35 11.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.41 -52.58 1.06 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -92.85 -169.65 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.712 0.291 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.96 152.01 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.202 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.4 t-105 -75.3 162.06 28.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.67 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.461 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -143.11 133.25 24.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.9 -20.4 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.36 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -52.11 -30.51 26.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.87 21.79 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.271 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.466 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 1.7 m-20 43.26 77.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.471 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -177.76 135.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.69 156.48 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.02 121.87 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.58 169.64 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -24.71 58.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.8 64.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 111.224 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.49 37.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.6 t -160.91 41.35 0.16 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -78.29 -2.44 37.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.191 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.82 -33.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.68 0.276 . . . . 0.0 111.362 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 111.95 9.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.138 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -85.9 -164.98 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.827 2.352 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 67.2 61.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.107 0.479 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 2.4 m -159.13 120.98 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.928 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.18 -27.42 68.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.249 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 23.9 p90 -71.89 -18.49 62.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.056 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.7 m -77.29 -33.72 55.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.852 0.358 . . . . 0.0 110.661 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.08 -25.88 15.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -97.61 28.99 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -165.51 86.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 71.96 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.64 161.28 64.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -51.76 176.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.565 2.177 . . . . 0.0 112.266 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -51.47 -40.41 63.01 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.538 2.158 . . . . 0.0 112.286 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.08 135.68 24.81 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.35 132.99 15.56 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.525 2.15 . . . . 0.0 112.354 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 60.04 -167.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.674 ' HB3' HD12 ' A' ' 50' ' ' LEU . 4.8 mtp180 65.36 131.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.674 HD12 ' HB3' ' A' ' 49' ' ' ARG . 1.2 mp 60.86 66.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mp -105.04 147.9 27.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.437 ' CB ' ' CD ' ' A' ' 53' ' ' PRO . 2.8 m95 -92.34 -64.57 0.15 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 52' ' ' TRP . 69.4 Cg_endo . . . . . 0 C--O 1.249 1.057 0 C-N-CA 122.265 1.977 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.723 0.296 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.58 -71.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.974 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.51 75.18 0.62 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.176 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.71 177.63 6.03 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.496 2.131 . . . . 0.0 112.326 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.19 -73.86 1.87 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -100.59 131.82 46.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 8' ' ' PRO . . . -121.75 163.14 32.85 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 7' ' ' ALA . 75.3 Cg_endo -78.0 54.28 4.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.685 2.257 . . . . 0.0 112.582 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.4 m 47.92 36.18 5.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.357 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.09 28.46 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.66 31.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.747 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.81 -30.22 0.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.38 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -119.86 -172.64 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.666 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -158.35 155.12 28.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' ' 16' ' ' SER . 4.7 t-105 -76.44 165.18 25.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.525 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -147.55 117.33 7.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.49 -22.99 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.51 -26.3 12.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.06 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.7 20.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.324 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.502 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 42.33 80.22 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.471 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 172.36 142.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.29 162.98 16.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.689 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.408 ' HB3' ' CG ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -160.7 121.13 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.07 173.81 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -22.08 52.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.44 -59.78 4.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.248 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 m -69.82 64.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.34 39.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -112.63 -24.85 9.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.19 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.401 ' HB3' ' HD2' ' A' ' 31' ' ' ARG . . . -110.87 -28.89 8.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.38 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 1.2 mpt_? -120.22 72.01 18.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.144 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.74 79.25 3.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.613 2.209 . . . . 0.0 112.222 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -162.04 63.75 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.605 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.483 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -154.02 141.34 19.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.91 -32.22 70.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.405 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.483 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 5.3 p90 -62.31 -19.36 63.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.709 0.29 . . . . 0.0 111.089 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.2 -50.67 8.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 110.794 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 38' ' ' LEU . 4.0 mm? -57.17 -28.76 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.06 -29.56 33.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.354 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.0 t -77.8 -53.04 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 110.734 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.93 105.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 60.96 172.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.99 150.38 48.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.47 153.76 65.4 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.556 2.171 . . . . 0.0 112.271 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.04 179.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.586 2.19 . . . . 0.0 112.25 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.44 122.89 38.13 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.14 176.76 8.04 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.4 2.066 . . . . 0.0 112.373 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -60.6 163.72 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 63.8 32.39 13.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -151.3 159.21 44.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.5 177.26 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.04 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.438 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -156.26 79.1 4.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.631 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.573 2.182 . . . . 0.0 112.275 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.744 0.307 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -108.9 -44.31 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.812 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.774 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -73.55 -61.22 1.44 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 59.8 Cg_endo -72.5 133.58 20.92 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.544 2.163 . . . . 0.0 112.275 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.18 61.03 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.81 165.61 10.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.85 148.06 92.55 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.014 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.64 62.47 2.96 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.46 2.107 . . . . 0.0 112.211 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 59.46 65.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.93 119.71 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 60.75 106.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.64 -25.79 9.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.597 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.6 p -98.27 -164.6 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.2 t -157.51 150.92 23.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.492 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 21.0 t-105 -83.29 162.99 20.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.728 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.474 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -143.16 154.35 43.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.16 -13.73 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.635 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -50.43 -32.06 16.76 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.11 25.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.492 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.9 OUTLIER 46.84 79.39 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.948 0.404 . . . . 0.0 111.09 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -175.51 124.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.766 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 15' ' ' TRP . 27.4 p -69.56 154.8 41.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.402 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -157.02 127.45 6.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.984 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' OD1' ' HB3' ' A' ' 26' ' ' ALA . 19.1 p30 -65.51 176.13 1.56 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.1 m -64.38 -22.85 67.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' A' ' 24' ' ' ASP . . . -53.41 -35.1 60.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.379 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 5.1 t -66.52 -46.98 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -86.37 52.95 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -97.65 -31.76 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.86 -28.45 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.863 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.27 93.43 8.08 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.676 0.274 . . . . 0.0 111.409 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.68 78.33 3.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.579 2.186 . . . . 0.0 112.104 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -161.43 63.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.445 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -153.91 136.07 14.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -41.19 78.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 10.1 p90 -60.75 -25.59 66.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.795 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.94 -31.52 71.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.619 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 38' ' ' LEU . 4.4 tt -60.75 -32.75 72.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.62 -34.52 56.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.253 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.48 -60.18 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.739 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 53.27 44.37 30.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.428 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.98 31.85 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.39 87.77 10.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.41 154.4 11.6 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.556 2.171 . . . . 0.0 112.288 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.35 133.61 48.82 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.577 2.185 . . . . 0.0 112.392 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 47' ' ' PRO . . . -73.69 -61.35 1.37 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 46' ' ' ALA . 58.7 Cg_endo -72.25 172.79 14.16 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.558 2.172 . . . . 0.0 112.389 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -104.71 174.89 5.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -72.2 152.44 42.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.755 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tp -101.68 131.93 47.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.813 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -165.32 166.57 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.408 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -72.59 -53.07 6.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 52' ' ' TRP . 68.9 Cg_exo . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.563 2.175 . . . . 0.0 112.211 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.798 0.332 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -137.17 179.86 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.61 86.51 3.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.85 -59.82 0.92 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.591 2.194 . . . . 0.0 112.326 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.7 -45.85 0.54 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.755 HG21 ' HB2' ' A' ' 10' ' ' SER . 0.4 OUTLIER 62.85 119.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.856 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.783 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . . . -104.84 -55.28 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.548 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 7' ' ' ALA . 6.0 Cg_exo -78.41 43.94 1.52 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.721 2.281 . . . . 0.0 112.547 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t 55.55 169.94 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.755 ' HB2' HG21 ' A' ' 6' ' ' THR . 32.8 t -141.59 -169.58 2.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.734 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 151.38 44.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.42 -135.32 45.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 p 48.19 -164.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.684 0.278 . . . . 0.0 111.295 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -154.09 132.51 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.459 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 32.3 t-105 -58.87 160.31 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.688 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.434 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -139.91 131.8 27.64 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.66 -19.93 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.317 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.4 -31.02 21.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.01 22.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 44.78 80.58 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.875 0.369 . . . . 0.0 111.223 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -177.46 125.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 99.3 m -59.64 155.96 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.26 139.52 9.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.23 163.17 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.5 t -81.19 -29.91 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.07 95.39 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.4 t -173.6 -45.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -94.62 41.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -70.97 -22.78 62.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.29 -51.86 3.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.328 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.01 131.77 15.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.087 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.73 112.65 3.17 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.605 2.204 . . . . 0.0 112.327 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.13 59.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 m -164.19 142.15 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -43.88 96.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.042 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.461 ' CZ ' ' CB ' ' A' ' 34' ' ' SER . 25.8 p90 -62.18 -28.36 69.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.9 m -76.08 -32.88 59.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.712 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.89 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.03 -36.0 11.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.341 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.8 t -61.8 -26.78 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.821 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.58 -62.08 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.83 -175.47 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.415 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . . . -117.4 93.01 41.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HG2' ' HD3' ' A' ' 45' ' ' PRO . 4.9 Cg_exo -39.61 -52.83 2.45 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.034 2.489 . . . . 0.0 112.703 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 81.4 Cg_exo -43.93 119.08 1.81 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.505 2.136 . . . . 0.0 112.554 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 47' ' ' PRO . . . -72.36 -61.0 1.92 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 46' ' ' ALA . 56.0 Cg_endo -70.54 141.06 41.15 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.506 2.137 . . . . 0.0 112.417 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -94.56 -32.37 13.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.49 -14.63 18.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.359 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.19 83.19 0.17 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.353 . . . . 0.0 110.82 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 mt -102.57 160.84 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -107.29 92.11 7.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo . . . . . 0 C--O 1.25 1.08 0 C-N-CA 122.522 2.148 . . . . 0.0 112.294 -179.91 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.835 0.35 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.42 -30.93 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.747 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -59.31 -52.94 70.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.065 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.747 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 56.4 Cg_exo -51.74 115.17 1.94 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.53 2.153 . . . . 0.0 112.359 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.97 121.65 5.9 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.9 p -141.67 -119.84 0.11 Allowed 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.01 -0.112 . . . . 0.0 110.746 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.6 93.82 6.48 Favored Pre-proline 0 N--CA 1.456 -0.164 0 CA-C-O 120.616 0.246 . . . . 0.0 111.156 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.08 66.17 3.37 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.487 2.124 . . . . 0.0 112.168 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.8 m -50.66 177.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.198 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.95 31.05 18.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.761 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 28.26 2.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.41 -35.46 2.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.597 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.1 p -91.63 143.05 26.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 p -79.49 -177.25 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.192 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.3 t-105 -122.01 160.56 24.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.375 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.427 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 1.1 m -136.57 115.14 11.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.856 0.36 . . . . 0.0 111.067 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.87 -23.07 25.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.61 -30.61 61.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.83 20.5 1.28 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.318 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 66.7 m-20 44.87 82.13 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.554 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.13 135.74 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -77.02 163.57 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.744 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.2 128.85 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.83 158.44 10.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -25.36 55.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.064 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.89 100.15 12.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -48.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.0 p -89.38 54.06 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -90.1 -28.15 19.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.84 -42.05 2.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.365 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -108.18 86.77 3.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.142 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.76 87.31 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.581 2.188 . . . . 0.0 112.17 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -161.03 63.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.46 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -150.07 135.02 17.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.79 -40.48 75.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 10.5 p90 -61.9 -31.45 71.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 43.6 t -71.83 -30.38 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.37 -29.56 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.86 -29.62 10.41 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -29.96 58.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.756 0.313 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.37 79.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 59.23 103.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.68 143.69 30.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.11 127.12 11.05 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.538 2.159 . . . . 0.0 112.428 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.554 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 31.4 Cg_exo -58.93 -17.14 35.7 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.527 2.151 . . . . 0.0 112.483 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 45' ' ' PRO . . . 78.3 107.62 0.03 OUTLIER Pre-proline 0 CA--C 1.529 0.145 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.063 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.12 -157.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.709 2.273 . . . . 0.0 112.415 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 71.63 -170.88 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 165.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 tp -170.94 118.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -123.2 148.0 46.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -135.43 72.18 65.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 C--O 1.25 1.091 0 C-N-CA 122.553 2.168 . . . . 0.0 112.315 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.808 0.337 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -111.23 77.29 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.39 67.38 1.89 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.6 126.65 22.5 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.455 2.103 . . . . 0.0 112.312 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.66 25.52 4.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.675 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.569 HG22 ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -115.01 153.6 30.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.728 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . . . -59.79 -51.67 79.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.236 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.728 ' HD3' ' HB3' ' A' ' 7' ' ' ALA . 8.2 Cg_exo -72.17 51.11 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.726 2.284 . . . . 0.0 112.302 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.7 t -68.54 111.06 4.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 m 59.9 -177.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.74 129.57 49.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.72 57.92 15.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.417 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 m -135.7 -171.64 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.74 138.83 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.206 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.474 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 31.0 t-105 -56.2 159.66 3.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.72 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -138.59 129.24 26.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.901 0.381 . . . . 0.0 111.042 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.78 -21.87 18.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.322 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -52.44 -31.49 34.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.1 22.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 5.3 p-10 42.1 80.14 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.628 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -178.46 123.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.5 p -65.54 135.98 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.771 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.53 146.39 28.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.9 167.59 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.054 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.9 m -102.62 0.42 33.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.409 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.18 -34.5 60.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 111.192 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -61.71 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.68 53.33 2.78 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -71.97 -9.57 58.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.55 -31.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.21 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -97.87 112.28 61.25 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -179.628 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.19 127.82 13.15 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.365 2.043 . . . . 0.0 112.226 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.12 45.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.463 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -174.26 146.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.56 -38.72 87.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.221 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.463 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 9.5 p90 -58.48 -24.13 59.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.114 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -67.24 -36.04 80.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.364 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.64 -30.23 69.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.77 -39.73 47.12 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.218 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 m -75.23 -47.77 26.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.588 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.43 74.95 10.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.19 126.03 28.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 58.7 95.76 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -48.89 105.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.486 2.124 . . . . 0.0 112.411 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.35 -44.08 49.32 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.458 2.105 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -136.34 158.59 73.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 56.9 Cg_endo -70.76 -168.07 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.624 2.216 . . . . 0.0 112.303 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -74.57 162.82 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' HB3' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -59.14 102.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' H ' HD12 ' A' ' 50' ' ' LEU . 3.8 mp -76.13 89.7 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 49' ' ' ARG . 4.5 mt -130.0 -176.74 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.521 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 96.6 m95 -67.58 -47.0 47.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.393 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.521 ' HD3' ' HB2' ' A' ' 52' ' ' TRP . 55.3 Cg_exo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.337 2.024 . . . . 0.0 112.277 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -108.25 -30.0 8.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.624 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -57.71 -61.67 6.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.349 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 25.9 Cg_endo -62.08 177.9 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.468 2.112 . . . . 0.0 112.281 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.62 -127.95 1.4 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.692 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.517 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 12.3 t -134.93 -161.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 6' ' ' THR . . . 74.71 120.81 0.03 OUTLIER Pre-proline 0 C--N 1.333 -0.142 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -79.97 70.24 7.6 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.579 2.186 . . . . 0.0 112.406 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -134.49 155.75 49.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -163.62 -49.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.44 105.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.41 36.27 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.578 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 t -142.84 148.44 37.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.803 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 p -84.41 161.93 20.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 21.5 t-105 -105.08 159.82 15.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.417 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -132.23 144.05 50.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 111.047 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.37 -22.05 12.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.285 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -51.92 -35.06 44.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.23 23.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.029 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 47.01 81.03 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.209 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -172.18 127.53 0.57 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.75 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 15' ' ' TRP . 16.6 p -80.7 164.89 22.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.17 133.04 5.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.27 153.12 27.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -20.14 65.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.11 -24.73 10.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.566 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 t -58.14 -47.33 83.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 m -86.88 52.78 2.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.527 ' NH1' ' HB2' ' A' ' 30' ' ' ALA . 7.8 ppt_? -61.55 -28.06 69.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . . . -113.02 -55.49 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.05 161.2 37.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.107 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.25 160.96 45.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.399 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -176.99 40.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.72 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.431 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -177.4 150.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.16 -46.89 79.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 10.1 p90 -57.83 -28.97 64.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.434 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 9.1 t -71.89 -33.64 68.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 38' ' ' LEU . 3.5 mm? -59.83 -30.09 68.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.28 -30.33 22.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.411 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -83.61 -51.88 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.85 108.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.46 82.73 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.52 92.38 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.453 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 32.2 Cg_exo -56.97 -47.3 23.75 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.501 2.134 . . . . 0.0 112.548 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 44' ' ' PRO . 90.3 Cg_endo -81.05 -170.07 0.93 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.393 2.062 . . . . 0.0 112.305 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.48 110.66 3.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -73.72 162.0 40.56 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.456 2.104 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.1 137.69 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.798 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -104.56 -25.61 12.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.43 30.06 13.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mp -110.73 -166.35 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.787 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.0 m95 63.93 87.73 0.12 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.249 1.074 0 C-N-CA 122.6 2.2 . . . . 0.0 112.263 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.791 0.329 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.07 179.18 5.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.82 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -179.35 -55.63 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.82 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 64.1 Cg_exo -51.16 -44.86 40.22 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.495 2.13 . . . . 0.0 112.443 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.07 -177.49 47.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.5 m 63.43 138.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.879 0.371 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.82 148.4 69.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -80.16 52.76 4.45 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.672 2.248 . . . . 0.0 112.611 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -80.88 82.3 6.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 t 63.78 129.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.37 130.33 42.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.51 58.56 1.52 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.598 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.4 t -150.85 138.65 19.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.3 p -92.3 178.38 5.86 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.234 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 14.3 t-105 -108.55 161.08 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.477 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.454 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -144.21 143.67 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.956 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.24 -18.17 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.334 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.33 -31.01 42.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.95 22.49 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.212 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.477 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 46.13 82.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.381 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -175.18 175.35 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.64 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.11 143.61 42.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.813 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.28 127.56 39.78 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.32 151.67 27.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.15 -29.89 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.6 66.74 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.223 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -176.35 34.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.87 38.92 0.06 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -106.29 41.57 1.4 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -166.2 -40.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.571 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -138.79 96.85 9.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.662 0.268 . . . . 0.0 111.505 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.96 101.18 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.574 2.183 . . . . 0.0 112.16 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -157.68 61.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.446 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -168.14 144.03 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.48 -45.45 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 10.1 p90 -61.14 -19.79 61.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.7 t -79.94 -38.39 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.71 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -30.19 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.71 -41.41 12.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.37 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.6 -42.26 71.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 122.03 15.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -131.39 -46.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.12 99.6 40.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.95 149.6 82.95 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.38 2.053 . . . . 0.0 112.315 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.84 165.15 33.58 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.511 2.141 . . . . 0.0 112.45 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -119.36 154.57 54.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.55 178.62 4.87 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.567 2.178 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -168.5 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 61.2 -170.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 159.3 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.815 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.637 ' N ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -106.89 170.94 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.988 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.24 62.94 21.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.986 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.438 ' CD ' HD23 ' A' ' 51' ' ' LEU . 46.6 Cg_endo . . . . . 0 C--O 1.25 1.082 0 C-N-CA 122.65 2.234 . . . . 0.0 112.303 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.79 0.329 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 68.9 -67.7 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.986 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -176.85 161.59 1.59 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 57.5 Cg_endo -70.97 102.38 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.548 2.165 . . . . 0.0 112.258 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.65 18.33 2.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.702 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 63.26 135.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.854 0.359 . . . . 0.0 111.001 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.68 67.95 2.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.44 61.99 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.813 2.342 . . . . 0.0 112.449 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.6 m 52.19 43.53 30.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.199 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 105.43 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -175.51 -177.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.96 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.27 -6.24 64.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.951 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.3 p -56.88 -166.79 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.303 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.75 129.35 18.08 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.49 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 10.6 t-105 -55.0 162.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.587 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.464 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 1.2 m -135.22 129.16 33.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.41 -21.73 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.315 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.76 -35.34 61.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.961 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.76 21.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.49 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 1.6 m-20 44.75 78.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.357 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.35 139.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.65 159.17 25.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.448 ' HB3' ' CG ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -168.81 137.52 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.19 161.05 5.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.3 m -83.86 -32.09 25.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.95 96.31 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.35 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.32 51.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.334 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 4.1 ttt180 -78.64 -3.4 43.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.007 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . 177.72 -32.15 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 mmt-85 -71.78 112.68 15.07 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.143 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.16 -163.98 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.535 2.157 . . . . 0.0 112.216 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m80 67.89 61.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.419 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 14.0 m -161.77 138.2 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.107 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.8 -16.56 16.56 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.29 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CG ' ' HB3' ' A' ' 23' ' ' MET . 35.5 p90 -70.52 -45.85 64.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.302 . . . . 0.0 111.108 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 6.4 p -74.28 -23.74 59.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.848 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.13 -27.75 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.48 -42.64 2.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -25.25 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 111.081 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.11 -65.77 0.52 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.245 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.35 125.84 5.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.67 75.14 0.38 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.31 110.12 2.59 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.623 2.216 . . . . 0.0 112.265 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.87 89.89 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.52 2.147 . . . . 0.0 112.283 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -172.5 137.36 0.86 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.064 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.0 109.12 2.82 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.603 2.202 . . . . 0.0 112.308 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.67 -31.64 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.09 -179.17 3.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.81 155.71 47.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.737 ' O ' ' HB2' ' A' ' 52' ' ' TRP . 1.2 tp -131.82 173.68 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.737 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER 100.33 -65.08 0.0 OUTLIER Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 124.041 0.937 . . . . 0.0 111.562 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' A' ' 52' ' ' TRP . 92.9 Cg_endo . . . . . 0 C--O 1.249 1.036 0 C-N-CA 122.181 1.921 . . . . 0.0 112.443 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.759 0.314 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.36 111.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.2 144.75 28.62 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.28 -175.38 2.18 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.508 2.139 . . . . 0.0 112.323 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.6 70.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.64 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 t -76.53 -28.62 56.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.01 0.433 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.71 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . . . -75.9 -60.25 1.04 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.464 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 7' ' ' ALA . 42.0 Cg_endo -68.06 58.74 0.91 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.482 2.121 . . . . 0.0 112.302 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.2 m 63.98 -178.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.97 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.1 m -134.66 -173.78 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.82 128.78 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.85 -41.97 2.01 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.487 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 p -80.68 -175.61 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 m -152.1 142.86 22.9 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.99 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.495 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.2 t-105 -79.72 164.91 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.495 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -138.14 125.18 21.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.52 -20.98 19.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.296 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -54.67 -31.64 57.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.25 21.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.225 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER 44.73 81.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.351 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -173.33 139.56 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.762 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -77.83 160.9 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.8 124.43 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -63.02 166.31 5.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -26.88 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.02 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.11 -30.6 64.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.27 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 t -90.52 46.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 t -161.55 39.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -109.27 37.79 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.03 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.188 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -113.05 72.43 1.49 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.17 90.45 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.448 2.098 . . . . 0.0 112.238 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -161.19 63.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.65 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.462 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 72.7 m -161.68 144.32 11.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.69 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.545 ' HA ' HD21 ' A' ' 38' ' ' LEU . 19.1 t70 -54.94 -39.71 69.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.253 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.462 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 23.4 p90 -64.43 -16.56 62.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.957 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.9 m -87.33 -54.04 4.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.639 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -61.14 -19.78 61.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.682 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.28 -31.69 7.84 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.25 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.3 t -68.05 -40.28 82.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.861 0.363 . . . . 0.0 110.785 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.18 123.38 16.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.95 76.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 62.53 146.79 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.95 140.27 93.29 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.198 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.09 159.38 26.91 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.553 2.169 . . . . 0.0 112.404 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 99.15 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -51.04 137.37 44.68 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.554 2.169 . . . . 0.0 112.301 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -107.97 -33.75 7.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.81 137.29 41.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.2 mt -109.77 125.7 52.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mt -130.44 172.59 11.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -58.96 109.34 1.8 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.39 2.06 . . . . 0.0 112.281 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.778 0.323 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 69.08 -65.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.71 144.65 72.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.201 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.67 -62.13 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.501 2.134 . . . . 0.0 112.289 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.68 130.97 2.57 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.4 m -142.06 135.6 29.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.336 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.1 143.07 36.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.77 54.85 5.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.602 2.201 . . . . 0.0 112.462 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -30.67 70.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.1 m 61.84 178.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -66.46 144.61 56.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.72 -63.5 0.28 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 60.5 p -94.59 -167.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -159.3 132.27 6.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.291 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.505 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 8.6 t-105 -61.12 162.68 6.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.484 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -140.45 137.98 34.34 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 110.951 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.82 -23.54 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.71 -35.81 66.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.804 ' O ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -134.29 18.41 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.505 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 41.68 74.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.489 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' N ' ' CZ3' ' A' ' 15' ' ' TRP . 3.1 mmtm -170.55 172.13 6.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.616 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.25 142.17 34.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.763 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.437 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -148.71 141.82 24.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.791 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -59.96 154.77 18.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 -179.791 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.2 t -67.43 -28.44 67.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.94 100.49 13.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 p -170.25 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.7 p -86.43 52.98 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -42.13 44.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.003 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.96 -29.58 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.67 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.06 88.16 3.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.425 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.408 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 75.4 Cg_endo -76.82 92.6 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.577 2.185 . . . . 0.0 112.219 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 32' ' ' PRO . 92.9 m-70 -159.33 62.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.473 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 1.9 m -160.41 139.33 10.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -34.33 62.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.259 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CZ ' ' CB ' ' A' ' 34' ' ' SER . 6.6 p90 -57.32 -27.79 62.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.275 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.79 -40.6 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.452 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.5 mm? -65.24 -25.51 67.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.548 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.67 -27.26 32.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.345 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.5 t -61.35 -34.09 74.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.494 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.29 107.92 12.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.82 127.13 30.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.736 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -123.55 113.1 29.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.523 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 50.6 Cg_exo -54.78 -47.32 27.32 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.517 2.144 . . . . 0.0 112.662 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 44' ' ' PRO . 72.3 Cg_endo -75.2 -5.7 17.02 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.239 1.959 . . . . 0.0 112.65 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.736 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . . . -115.76 68.89 3.15 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.062 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.43 -173.85 1.45 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.47 179.26 4.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 59.94 -159.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.77 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt 68.34 156.28 0.13 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.88 0.371 . . . . 0.0 110.777 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tp -57.08 176.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.439 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -58.27 -57.23 27.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 52' ' ' TRP . 61.0 Cg_endo . . . . . 0 C--O 1.25 1.087 0 C-N-CA 122.425 2.083 . . . . 0.0 112.319 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.793 0.33 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.61 32.0 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -84.82 162.68 49.22 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.3 Cg_exo -52.08 -57.48 2.11 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.562 2.175 . . . . 0.0 112.254 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.44 -105.73 0.29 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m 59.73 29.92 19.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.321 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.889 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . . . -126.26 -58.79 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.889 ' HD3' ' HB3' ' A' ' 7' ' ' ALA . 13.6 Cg_exo -69.73 52.6 1.0 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.403 2.069 . . . . 0.0 112.443 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.6 t 57.93 163.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.989 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.0 t -58.99 148.26 31.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.11 138.86 58.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.74 -39.14 2.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.6 p -77.11 -168.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.846 0.355 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.83 146.11 21.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.47 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 20.0 t-105 -77.65 161.13 28.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.691 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -133.37 143.41 48.93 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.15 -22.92 12.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.271 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.94 -31.6 41.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -148.32 21.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.47 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 43.93 79.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.927 0.394 . . . . 0.0 111.326 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HB2' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -171.24 132.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.901 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.39 161.28 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.45 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -167.11 140.16 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.824 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.89 160.67 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.5 t -71.87 -31.65 66.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.29 97.34 7.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.07 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 m -85.67 52.54 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -111.41 -26.73 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.087 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.35 -32.24 10.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.23 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.98 84.2 4.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.26 108.52 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.548 2.165 . . . . 0.0 112.214 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -155.75 60.49 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.759 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.457 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -169.51 148.98 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.91 -30.11 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.174 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 12.0 p90 -58.88 -42.92 90.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.299 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.521 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 9.4 p -74.45 -31.94 62.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -15.95 63.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.22 -19.82 9.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.737 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 p -74.81 -5.8 45.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.631 0.253 . . . . 0.0 111.309 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.76 179.46 7.1 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 111.347 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.37 179.34 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.17 107.52 0.87 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.253 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 94.8 Cg_endo -84.53 108.06 1.23 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.618 2.212 . . . . 0.0 112.398 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 44' ' ' PRO . 57.0 Cg_endo -70.81 -42.58 2.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.451 2.1 . . . . 0.0 112.175 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -145.8 157.87 50.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.8 Cg_endo -69.85 104.69 1.37 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.406 2.071 . . . . 0.0 112.324 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -98.47 135.21 40.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -84.44 -177.91 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.65 135.63 39.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 tp -112.28 -163.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.44 ' CB ' ' CD ' ' A' ' 53' ' ' PRO . 5.7 m95 -164.87 -64.54 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.012 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 52' ' ' TRP . 40.8 Cg_endo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.377 2.051 . . . . 0.0 112.185 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.811 0.339 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.4 -68.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 54.75 90.94 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.262 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.02 -25.23 44.41 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.486 2.124 . . . . 0.0 112.29 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.27 120.7 1.83 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.461 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -91.4 150.9 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.364 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.45 ' HB1' ' HD2' ' A' ' 8' ' ' PRO . . . -159.48 157.89 27.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HD2' ' HB1' ' A' ' 7' ' ' ALA . 57.1 Cg_endo -70.81 63.52 2.4 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.567 2.178 . . . . 0.0 112.269 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m 61.69 116.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.9 m -157.59 -45.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.92 96.42 5.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.83 48.59 11.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.8 m -149.29 174.09 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.699 0.285 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.37 152.75 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.962 0.411 . . . . 0.0 111.154 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CG ' ' N ' ' A' ' 16' ' ' SER . 7.0 t-105 -79.55 164.79 23.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.494 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.493 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -140.51 140.67 35.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.963 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.69 -18.37 15.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.416 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -33.52 22.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.729 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -149.09 21.98 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.835 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 72.7 m-20 44.31 80.2 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.345 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.729 ' HB2' HD12 ' A' ' 19' ' ' LEU . 5.3 mttt -173.19 127.65 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.781 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.89 157.73 36.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -170.55 138.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.65 156.02 17.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 m -60.56 -32.09 71.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.96 95.93 6.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.39 -46.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -87.58 53.17 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 ttm105 -98.56 -34.0 10.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.13 -30.98 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.23 83.63 15.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.53 96.18 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.466 2.111 . . . . 0.0 112.268 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -159.77 62.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.01 -162.76 1.39 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.654 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.43 -38.47 3.01 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -59.62 -28.34 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.125 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.0 m -72.6 -36.39 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.803 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.49 -29.98 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.86 -30.42 26.34 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.97 -43.4 71.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.817 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.55 -171.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -167.22 147.02 5.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.051 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 60.38 96.81 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.15 110.5 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.397 2.065 . . . . 0.0 112.31 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.96 124.94 17.13 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.472 2.114 . . . . 0.0 112.209 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.544 ' HB1' ' HA ' ' A' ' 53' ' ' PRO . . . -108.33 121.22 44.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.68 174.03 10.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.453 2.102 . . . . 0.0 112.288 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -124.03 162.25 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 68.79 -68.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.33 125.07 29.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.783 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.97 176.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -104.36 148.7 36.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.544 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 52.6 Cg_exo . . . . . 0 C--O 1.249 1.048 0 C-N-CA 122.591 2.194 . . . . 0.0 112.274 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.742 0.306 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.94 155.52 20.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.8 149.31 53.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.63 -27.81 21.84 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.592 2.195 . . . . 0.0 112.343 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.21 159.38 19.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.36 154.91 39.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.58 142.8 11.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -78.27 56.79 5.94 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.561 2.174 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 94.7 m -65.72 -176.89 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m 68.68 -68.37 0.18 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.87 69.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.842 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.53 -75.72 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.376 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.4 p -73.85 -165.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.676 0.274 . . . . 0.0 110.755 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.49 146.05 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 111.27 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.471 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.0 t-105 -77.51 160.23 28.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.436 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.3 OUTLIER -135.74 143.13 45.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.783 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.66 -25.77 12.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.33 -30.92 52.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.809 ' O ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -142.34 17.74 2.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 41.97 76.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.473 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -170.51 141.15 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.78 149.72 37.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.439 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -153.58 143.83 22.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.62 179.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -16.98 59.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.264 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.72 107.6 18.69 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.799 0.333 . . . . 0.0 111.249 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.44 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.6 p -85.86 53.0 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 111.18 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -101.57 31.11 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.726 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.12 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.36 97.34 35.43 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.73 -166.9 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.397 2.065 . . . . 0.0 112.312 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 m80 65.28 58.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.77 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -129.49 118.29 21.86 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.959 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -24.99 67.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' A' ' 34' ' ' SER . 42.9 p90 -80.41 -1.8 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.581 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 m -109.82 -41.04 4.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 39' ' ' GLY . 4.4 pp -64.23 -28.68 69.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.561 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.734 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -85.89 -25.21 38.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.356 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.1 t -91.55 23.64 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 111.202 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.08 -58.95 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -175.99 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.75 91.32 38.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.93 157.78 57.2 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.487 2.124 . . . . 0.0 112.244 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.21 122.5 10.75 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.565 2.177 . . . . 0.0 112.26 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.43 90.78 49.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.43 -172.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.523 2.148 . . . . 0.0 112.386 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -69.71 118.14 12.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -110.43 -54.32 2.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 tp -110.29 117.59 34.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.26 162.32 21.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -140.03 153.35 69.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo . . . . . 0 C--O 1.25 1.104 0 C-N-CA 122.558 2.172 . . . . 0.0 112.283 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.821 0.343 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -89.96 172.46 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -69.45 -61.16 3.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 56.1 Cg_endo -70.53 -173.54 0.85 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.489 2.126 . . . . 0.0 112.3 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.92 91.12 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 t -129.8 175.22 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 62.65 53.53 1.99 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.91 57.21 6.0 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.712 2.275 . . . . 0.0 112.307 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.25 -67.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -57.63 152.56 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 60.7 101.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.97 -100.79 1.81 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.677 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -57.85 -168.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.5 m -153.79 143.57 21.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.479 ' CG ' ' N ' ' A' ' 16' ' ' SER . 15.0 t-105 -66.84 164.07 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.758 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -143.1 116.97 9.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.768 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.97 -23.73 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.205 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.42 -27.38 24.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.158 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.616 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -150.86 22.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.393 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.438 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 21.3 m-20 44.49 79.5 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.533 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.616 ' HB2' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -176.27 150.35 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.89 141.17 28.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.745 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.7 tpt -138.67 135.7 35.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.804 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.19 162.27 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -75.15 -30.18 60.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.84 61.96 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.0 0.429 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.3 59.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.643 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.19 45.35 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.338 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.53 -31.32 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.08 0.467 . . . . 0.0 110.309 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.616 ' O ' ' HD2' ' A' ' 32' ' ' PRO . . . -78.54 -23.0 46.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.912 ' HB3' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 54.87 -97.85 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 118.486 -0.768 . . . . 0.0 111.706 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.912 ' CD ' ' HB3' ' A' ' 31' ' ' ARG . 55.4 Cg_endo -68.78 71.08 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 CA-C-N 121.726 1.652 . . . . 0.0 112.089 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.16 40.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.407 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 3.1 m -168.76 133.92 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.38 -31.2 62.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 15.8 p90 -65.74 -33.8 76.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.016 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -68.42 -31.62 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.797 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -30.31 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.85 -43.09 6.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.425 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.79 -26.69 63.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.311 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.45 82.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 64.39 -78.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.93 80.47 1.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.53 154.69 55.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.653 2.235 . . . . 0.0 112.302 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.77 157.1 59.36 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.569 2.179 . . . . 0.0 112.212 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -145.79 145.44 25.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.95 143.95 80.43 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.49 2.127 . . . . 0.0 112.26 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.409 ' O ' ' N ' ' A' ' 50' ' ' LEU . 59.9 t80 -92.1 88.69 6.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.778 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.23 -66.94 0.18 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' PHE . 0.6 OUTLIER 67.21 -74.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 pp -130.36 177.8 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.409 ' CB ' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 178.38 -54.09 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 52' ' ' TRP . 55.5 Cg_exo . . . . . 0 C--O 1.25 1.084 0 C-N-CA 122.396 2.064 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.805 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.35 156.36 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.81 140.85 67.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.94 -44.67 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.88 66.06 2.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 m -116.7 119.37 35.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -137.05 156.86 75.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -66.78 66.83 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.832 2.354 . . . . 0.0 112.207 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.82 111.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -155.83 94.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -163.71 -67.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.38 30.01 0.18 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.627 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -141.23 149.04 40.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.859 0.361 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 p -82.84 -177.63 6.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.227 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.459 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 37.0 t-105 -118.55 158.3 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.511 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.58 130.24 29.91 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.16 -21.14 18.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.273 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.11 -32.97 24.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.81 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -148.67 22.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.086 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 4.2 m-20 43.85 80.69 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.337 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.763 ' HB2' HD12 ' A' ' 19' ' ' LEU . 10.3 mttp -171.81 127.91 0.62 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.5 m -57.94 167.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.429 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -162.31 126.85 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.922 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.49 150.16 32.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -28.6 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.57 -0.63 57.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.621 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -64.5 -16.6 62.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.659 0.266 . . . . 0.0 111.281 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 m -84.7 53.01 2.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.905 0.384 . . . . 0.0 111.039 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -96.41 40.77 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.86 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.28 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.02 87.94 23.18 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.46 59.62 6.2 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.572 2.181 . . . . 0.0 112.394 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.83 59.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.87 -163.06 1.1 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.635 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.02 -53.97 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.429 ' CD2' ' HB3' ' A' ' 23' ' ' MET . 48.5 p90 -63.48 -27.08 69.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.42 -31.51 48.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.68 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.88 -31.38 70.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.78 -29.03 7.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.434 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.41 22.06 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.73 -34.58 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.271 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.5 72.93 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.309 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 44' ' ' PRO . . . -177.45 64.33 0.2 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.309 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 43' ' ' ALA . 12.8 Cg_exo -70.13 110.59 2.67 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.706 2.271 . . . . 0.0 112.247 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.39 -172.28 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.511 2.141 . . . . 0.0 112.158 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -162.25 67.9 2.05 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.053 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.33 138.95 73.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.616 2.211 . . . . 0.0 112.399 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 58.83 175.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.027 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.11 32.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -122.8 165.13 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 50' ' ' LEU . 4.2 mm? -106.81 176.44 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.0 m95 60.23 105.83 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo . . . . . 0 C--O 1.249 1.036 0 C-N-CA 122.46 2.107 . . . . 0.0 112.312 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.87 0.367 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.54 156.45 48.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.986 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.93 61.64 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.12 -46.18 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.549 2.166 . . . . 0.0 112.294 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -154.1 -176.14 26.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.2 m -119.4 -77.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.999 0.428 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.652 ' HB1' ' HD2' ' A' ' 8' ' ' PRO . . . -158.16 165.25 19.0 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.652 ' HD2' ' HB1' ' A' ' 7' ' ' ALA . 72.9 Cg_endo -74.94 67.42 5.88 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.592 2.195 . . . . 0.0 112.263 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t 70.5 117.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.3 -162.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.803 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -93.96 26.27 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.031 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.44 28.0 0.38 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.209 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -94.02 -165.33 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.927 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.68 148.57 42.55 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.922 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.0 t-105 -76.89 164.49 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.555 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -143.34 141.21 30.87 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.976 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.61 -20.91 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.33 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -54.18 -35.54 62.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.797 ' O ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -137.57 17.62 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.08 0.467 . . . . 0.0 111.208 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 3.1 m-20 45.64 70.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.424 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.6 176.55 8.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.67 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.77 146.95 39.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 36' ' ' PHE . 3.1 tpt -165.28 135.1 3.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -57.36 152.1 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 7.0 p -86.4 -35.16 19.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.071 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.97 -27.59 2.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.371 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -59.7 -40.32 87.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 p -86.52 52.71 2.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.961 0.41 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -96.55 36.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.12 -41.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.3 86.53 57.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.747 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.73 110.55 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.614 2.209 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -159.04 59.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.464 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -165.65 141.93 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.64 -38.7 80.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.083 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 20.8 p90 -59.17 -21.87 60.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.335 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -80.78 -38.47 28.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.937 0.398 . . . . 0.0 110.557 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -27.98 68.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.653 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.97 -26.58 31.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.429 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 3.9 t -61.01 -28.28 68.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.18 117.63 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -119.87 -42.56 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.34 66.79 2.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.488 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 32.1 Cg_exo -57.12 -45.68 33.93 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.574 2.183 . . . . 0.0 112.489 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 44' ' ' PRO . 67.3 Cg_exo -51.17 168.96 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.336 2.024 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.8 103.81 15.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.66 170.86 13.0 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.404 2.069 . . . . 0.0 112.345 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -110.77 80.18 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 60.48 93.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.5 tt -103.18 23.18 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.77 167.06 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.826 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 24.2 m95 60.57 89.5 0.1 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.544 2.163 . . . . 0.0 112.29 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.786 0.326 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.69 80.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -86.72 -52.69 0.43 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 32.0 Cg_exo -58.35 123.49 13.73 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.431 2.087 . . . . 0.0 112.196 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.07 -142.59 15.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.569 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -106.21 -24.42 12.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.354 . . . . 0.0 111.159 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 63.02 128.18 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.53 61.72 4.4 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.442 2.095 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -176.44 -60.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.1 m 60.97 175.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.65 -67.69 0.2 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.36 44.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.536 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.0 152.64 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.334 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 p -88.8 144.2 26.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.287 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.472 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 25.4 t-105 -76.65 160.93 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.505 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.439 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -139.09 115.92 10.8 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.95 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.27 -23.75 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -30.13 56.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.09 19.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.282 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.472 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 11.8 m-20 41.67 78.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.558 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.6 130.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.54 162.09 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 ttt -166.79 135.78 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.52 154.86 13.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.5 t -58.24 -20.53 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.298 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.0 -145.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.1 -64.08 0.39 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.698 0.285 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -84.58 52.86 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -83.93 1.89 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.359 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.8 -48.18 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.817 0.341 . . . . 0.0 111.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -108.89 85.9 3.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.51 107.01 2.29 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.586 2.191 . . . . 0.0 112.264 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -155.8 60.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.406 ' HG ' ' HE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -153.11 -162.6 1.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -114.81 -40.88 3.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 54.4 p90 -62.46 -47.63 83.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 27.7 p -77.96 -27.44 49.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.46 -15.51 62.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.287 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.42 -29.16 3.27 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.767 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.0 p -62.45 -33.59 75.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.949 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.42 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.267 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -174.09 132.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.74 118.55 67.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 37.8 Cg_endo -66.22 109.73 1.61 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.367 2.045 . . . . 0.0 112.172 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 44' ' ' PRO . 40.5 Cg_endo -67.34 -168.09 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.45 2.1 . . . . 0.0 112.32 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.93 154.73 86.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 38.1 Cg_endo -66.59 -164.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.589 2.193 . . . . 0.0 112.174 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 47' ' ' PRO . 4.6 m-85 66.72 -71.41 0.1 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 69.46 -67.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mt -125.87 -60.07 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mt -175.65 161.32 2.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -115.37 160.94 32.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo . . . . . 0 C--O 1.249 1.03 0 C-N-CA 122.647 2.231 . . . . 0.0 112.27 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.914 0.388 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -97.22 158.56 15.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -87.67 -52.75 0.4 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 52.3 Cg_exo -52.51 -175.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.484 2.122 . . . . 0.0 112.31 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.82 -45.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 m -89.54 -8.17 53.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.614 0.245 . . . . 0.0 111.225 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . . . -69.14 -60.31 4.34 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.644 0.259 . . . . 0.0 111.364 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 7' ' ' ALA . 50.7 Cg_endo -69.0 56.26 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.541 2.161 . . . . 0.0 112.445 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.7 p -179.58 70.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -153.25 43.01 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.5 -56.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.2 29.04 1.66 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.2 p -94.18 -164.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.723 0.296 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -155.34 126.37 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.058 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 16' ' ' SER . 20.4 t-105 -57.97 162.42 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.739 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.475 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -142.52 126.59 17.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.15 -21.84 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.299 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -30.42 38.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HE2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -147.0 20.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 42.39 79.75 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.674 179.654 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HE2' HD22 ' A' ' 19' ' ' LEU . 9.7 pttt -178.71 134.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.0 p -62.91 160.09 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.11 125.73 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.49 163.68 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -30.32 67.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.39 77.66 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -166.06 -42.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.7 p -107.71 52.65 0.71 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.977 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -97.36 38.03 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.46 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.47 87.38 36.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.2 103.87 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.608 2.205 . . . . 0.0 112.298 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -158.04 61.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.456 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 48.2 m -167.56 145.13 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -57.02 -43.45 81.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.199 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 9.8 p90 -60.26 -27.48 67.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.071 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 3.2 t -78.33 -37.19 45.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.43 HD23 HD23 ' A' ' 51' ' ' LEU . 1.9 tp -58.8 -29.48 66.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.43 -39.9 4.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.664 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -76.67 -54.8 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 37' ' ' CYS . . . -60.86 -173.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.282 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.34 -84.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.267 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.87 57.43 16.11 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-O 120.788 0.327 . . . . 0.0 111.225 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.84 154.96 70.13 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.581 2.187 . . . . 0.0 112.422 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.71 -65.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.64 2.227 . . . . 0.0 112.318 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.19 77.91 74.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.09 -167.83 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.602 2.201 . . . . 0.0 112.397 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.82 113.2 7.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 62.33 74.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.773 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -66.42 136.49 55.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.009 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.43 HD23 HD23 ' A' ' 38' ' ' LEU . 1.3 mt 58.04 179.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.564 ' N ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER 173.5 64.55 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.527 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.668 2.246 . . . . 0.0 112.247 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t 48.13 -171.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.328 . . . . 0.0 111.287 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.9 t -160.33 140.96 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.1 t-105 -75.48 164.52 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -136.2 123.08 21.29 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.68 -23.22 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.302 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -55.51 -34.57 64.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.23 21.4 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 5.9 p-10 42.25 80.67 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.492 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.58 141.92 1.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.33 158.79 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.3 131.35 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.58 176.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.9 m -94.3 0.52 55.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.363 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 55.65 3.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.85 0.357 . . . . 0.0 111.27 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -175.88 34.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.003 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.91 44.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 27.18 7.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 178.88 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.312 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -106.48 91.64 6.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.239 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.34 100.76 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.605 2.203 . . . . 0.0 112.208 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -157.99 61.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.43 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -174.06 146.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -65.25 -41.61 94.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.256 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 26.8 p90 -59.89 -20.2 55.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.272 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.4 m -73.77 -33.43 64.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 110.653 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.06 -30.67 71.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.92 -32.77 31.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.367 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.67 -50.62 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.283 -179.912 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -92.85 -169.65 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.712 0.291 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.96 152.01 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.202 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.4 t-105 -75.3 162.06 28.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.67 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.461 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -143.11 133.25 24.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.9 -20.4 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.36 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -52.11 -30.51 26.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.87 21.79 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.271 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.466 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 1.7 m-20 43.26 77.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.471 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -177.76 135.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.69 156.48 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.02 121.87 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.58 169.64 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -24.71 58.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.8 64.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 111.224 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.49 37.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.6 t -160.91 41.35 0.16 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -78.29 -2.44 37.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.191 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.82 -33.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.68 0.276 . . . . 0.0 111.362 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 111.95 9.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.138 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -85.9 -164.98 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.827 2.352 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 67.2 61.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.107 0.479 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 2.4 m -159.13 120.98 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.928 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.18 -27.42 68.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.249 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 23.9 p90 -71.89 -18.49 62.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.056 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.7 m -77.29 -33.72 55.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.852 0.358 . . . . 0.0 110.661 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.08 -25.88 15.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -97.61 28.99 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.38 -0.288 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -119.86 -172.64 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.666 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -158.35 155.12 28.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' ' 16' ' ' SER . 4.7 t-105 -76.44 165.18 25.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.525 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -147.55 117.33 7.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.49 -22.99 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.51 -26.3 12.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.06 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.7 20.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.324 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.502 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 42.33 80.22 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.471 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 172.36 142.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.29 162.98 16.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.689 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.408 ' HB3' ' CG ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -160.7 121.13 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.07 173.81 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -22.08 52.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.44 -59.78 4.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.248 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 m -69.82 64.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.34 39.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -112.63 -24.85 9.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.19 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' HB3' ' HD2' ' A' ' 31' ' ' ARG . . . -110.87 -28.89 8.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.38 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 1.2 mpt_? -120.22 72.01 18.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.144 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.74 79.25 3.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.613 2.209 . . . . 0.0 112.222 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -162.04 63.75 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.605 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.483 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -154.02 141.34 19.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.91 -32.22 70.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.405 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.483 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 5.3 p90 -62.31 -19.36 63.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.709 0.29 . . . . 0.0 111.089 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.2 -50.67 8.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 110.794 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 38' ' ' LEU . 4.0 mm? -57.17 -28.76 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.06 -29.56 33.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.354 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.0 t -77.8 -53.04 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 110.734 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 179.813 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.6 p -98.27 -164.6 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.2 t -157.51 150.92 23.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.492 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 21.0 t-105 -83.29 162.99 20.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.728 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.474 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -143.16 154.35 43.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.16 -13.73 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.635 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -50.43 -32.06 16.76 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.11 25.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.492 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.9 OUTLIER 46.84 79.39 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.948 0.404 . . . . 0.0 111.09 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -175.51 124.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.766 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 15' ' ' TRP . 27.4 p -69.56 154.8 41.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.402 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -157.02 127.45 6.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.984 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' OD1' ' HB3' ' A' ' 26' ' ' ALA . 19.1 p30 -65.51 176.13 1.56 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.1 m -64.38 -22.85 67.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' A' ' 24' ' ' ASP . . . -53.41 -35.1 60.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.379 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 5.1 t -66.52 -46.98 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -86.37 52.95 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -97.65 -31.76 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.86 -28.45 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.863 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.27 93.43 8.08 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.676 0.274 . . . . 0.0 111.409 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.68 78.33 3.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.579 2.186 . . . . 0.0 112.104 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -161.43 63.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.445 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -153.91 136.07 14.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -41.19 78.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 10.1 p90 -60.75 -25.59 66.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.795 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.94 -31.52 71.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.619 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 38' ' ' LEU . 4.4 tt -60.75 -32.75 72.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.62 -34.52 56.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.253 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.48 -60.18 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.739 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.428 179.787 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 p 48.19 -164.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.684 0.278 . . . . 0.0 111.295 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -154.09 132.51 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.459 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 32.3 t-105 -58.87 160.31 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.688 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.434 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -139.91 131.8 27.64 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.66 -19.93 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.317 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.4 -31.02 21.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.01 22.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 44.78 80.58 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.875 0.369 . . . . 0.0 111.223 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -177.46 125.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 99.3 m -59.64 155.96 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.26 139.52 9.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.23 163.17 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.5 t -81.19 -29.91 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.07 95.39 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.4 t -173.6 -45.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -94.62 41.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -70.97 -22.78 62.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.29 -51.86 3.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.328 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.01 131.77 15.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.087 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.73 112.65 3.17 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.605 2.204 . . . . 0.0 112.327 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.13 59.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 m -164.19 142.15 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -43.88 96.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.042 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.461 ' CZ ' ' CB ' ' A' ' 34' ' ' SER . 25.8 p90 -62.18 -28.36 69.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.9 m -76.08 -32.88 59.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.712 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.89 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.03 -36.0 11.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.341 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.8 t -61.8 -26.78 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.821 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.1 p -91.63 143.05 26.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 p -79.49 -177.25 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.192 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.3 t-105 -122.01 160.56 24.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.375 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.427 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 1.1 m -136.57 115.14 11.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.856 0.36 . . . . 0.0 111.067 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.87 -23.07 25.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.61 -30.61 61.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.83 20.5 1.28 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.318 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 66.7 m-20 44.87 82.13 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.554 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.13 135.74 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -77.02 163.57 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.744 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.2 128.85 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.83 158.44 10.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -25.36 55.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.064 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.89 100.15 12.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -48.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.0 p -89.38 54.06 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -90.1 -28.15 19.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.84 -42.05 2.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.365 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -108.18 86.77 3.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.142 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.76 87.31 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.581 2.188 . . . . 0.0 112.17 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -161.03 63.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.46 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -150.07 135.02 17.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.79 -40.48 75.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 10.5 p90 -61.9 -31.45 71.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 43.6 t -71.83 -30.38 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.37 -29.56 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.86 -29.62 10.41 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -29.96 58.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.756 0.313 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 m -135.7 -171.64 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.74 138.83 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.206 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.474 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 31.0 t-105 -56.2 159.66 3.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.72 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -138.59 129.24 26.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.901 0.381 . . . . 0.0 111.042 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.78 -21.87 18.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.322 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -52.44 -31.49 34.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.1 22.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 5.3 p-10 42.1 80.14 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.628 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -178.46 123.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.5 p -65.54 135.98 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.771 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.53 146.39 28.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.9 167.59 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.054 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.9 m -102.62 0.42 33.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.409 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.18 -34.5 60.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 111.192 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -61.71 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.68 53.33 2.78 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -71.97 -9.57 58.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.55 -31.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.21 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HG3' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -97.87 112.28 61.25 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -179.628 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.19 127.82 13.15 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.365 2.043 . . . . 0.0 112.226 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 1.4 p-80 -173.12 45.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.463 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -174.26 146.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.56 -38.72 87.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.221 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.463 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 9.5 p90 -58.48 -24.13 59.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.114 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -67.24 -36.04 80.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.364 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.64 -30.23 69.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.77 -39.73 47.12 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.218 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 m -75.23 -47.77 26.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.588 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.14 179.888 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 t -142.84 148.44 37.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.803 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 p -84.41 161.93 20.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 21.5 t-105 -105.08 159.82 15.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.417 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -132.23 144.05 50.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 111.047 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.37 -22.05 12.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.285 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -51.92 -35.06 44.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.23 23.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.029 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 47.01 81.03 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.209 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -172.18 127.53 0.57 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.75 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 15' ' ' TRP . 16.6 p -80.7 164.89 22.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.17 133.04 5.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.27 153.12 27.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -20.14 65.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.11 -24.73 10.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.566 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 t -58.14 -47.33 83.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 m -86.88 52.78 2.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.527 ' NH1' ' HB2' ' A' ' 30' ' ' ALA . 7.8 ppt_? -61.55 -28.06 69.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . . . -113.02 -55.49 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.05 161.2 37.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.107 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.25 160.96 45.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.399 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -176.99 40.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.72 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.431 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -177.4 150.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.16 -46.89 79.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 10.1 p90 -57.83 -28.97 64.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.434 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 9.1 t -71.89 -33.64 68.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 38' ' ' LEU . 3.5 mm? -59.83 -30.09 68.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.28 -30.33 22.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.411 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -83.61 -51.88 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.598 -0.201 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.4 t -150.85 138.65 19.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.3 p -92.3 178.38 5.86 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.234 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 14.3 t-105 -108.55 161.08 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.477 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.454 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -144.21 143.67 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.956 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.24 -18.17 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.334 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.33 -31.01 42.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.95 22.49 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.212 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.477 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 46.13 82.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.381 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -175.18 175.35 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.64 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.11 143.61 42.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.813 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.28 127.56 39.78 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.32 151.67 27.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.15 -29.89 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.6 66.74 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.223 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -176.35 34.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.87 38.92 0.06 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -106.29 41.57 1.4 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -166.2 -40.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.571 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -138.79 96.85 9.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.662 0.268 . . . . 0.0 111.505 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.96 101.18 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.574 2.183 . . . . 0.0 112.16 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.68 61.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.446 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -168.14 144.03 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.48 -45.45 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 10.1 p90 -61.14 -19.79 61.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.7 t -79.94 -38.39 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.71 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -30.19 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.71 -41.41 12.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.37 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.6 -42.26 71.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 120.449 -0.084 . . . . 0.0 112.951 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.3 p -56.88 -166.79 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.303 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.75 129.35 18.08 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.49 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 10.6 t-105 -55.0 162.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.587 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.464 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 1.2 m -135.22 129.16 33.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.41 -21.73 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.315 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.76 -35.34 61.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.961 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.76 21.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.49 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 1.6 m-20 44.75 78.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.357 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.35 139.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.65 159.17 25.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.448 ' HB3' ' CG ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -168.81 137.52 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.19 161.05 5.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.3 m -83.86 -32.09 25.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.95 96.31 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.35 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.32 51.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.334 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 4.1 ttt180 -78.64 -3.4 43.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.007 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . 177.72 -32.15 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 mmt-85 -71.78 112.68 15.07 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.143 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.16 -163.98 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.535 2.157 . . . . 0.0 112.216 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m80 67.89 61.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.419 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 14.0 m -161.77 138.2 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.107 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.8 -16.56 16.56 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.29 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CG ' ' HB3' ' A' ' 23' ' ' MET . 35.5 p90 -70.52 -45.85 64.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.302 . . . . 0.0 111.108 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 6.4 p -74.28 -23.74 59.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.848 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.13 -27.75 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.48 -42.64 2.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -25.25 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 111.081 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.245 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 p -80.68 -175.61 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 m -152.1 142.86 22.9 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.99 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.495 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.2 t-105 -79.72 164.91 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.495 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -138.14 125.18 21.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.52 -20.98 19.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.296 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -54.67 -31.64 57.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.25 21.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.225 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER 44.73 81.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.351 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -173.33 139.56 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.762 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -77.83 160.9 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.8 124.43 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -63.02 166.31 5.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -26.88 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.02 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.11 -30.6 64.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.27 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 t -90.52 46.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 t -161.55 39.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -109.27 37.79 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.03 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.188 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -113.05 72.43 1.49 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.17 90.45 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.448 2.098 . . . . 0.0 112.238 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -161.19 63.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.65 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.462 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 72.7 m -161.68 144.32 11.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.69 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.545 ' HA ' HD21 ' A' ' 38' ' ' LEU . 19.1 t70 -54.94 -39.71 69.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.253 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.462 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 23.4 p90 -64.43 -16.56 62.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.957 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.9 m -87.33 -54.04 4.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.639 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -61.14 -19.78 61.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.682 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.28 -31.69 7.84 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.25 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.3 t -68.05 -40.28 82.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.861 0.363 . . . . 0.0 110.785 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.224 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 60.5 p -94.59 -167.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -159.3 132.27 6.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.291 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.505 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 8.6 t-105 -61.12 162.68 6.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.484 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -140.45 137.98 34.34 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 110.951 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.82 -23.54 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.71 -35.81 66.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.804 ' O ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -134.29 18.41 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.505 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 41.68 74.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.489 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' N ' ' CZ3' ' A' ' 15' ' ' TRP . 3.1 mmtm -170.55 172.13 6.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.616 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.25 142.17 34.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.763 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.437 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -148.71 141.82 24.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.791 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -59.96 154.77 18.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 -179.791 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.2 t -67.43 -28.44 67.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.94 100.49 13.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 p -170.25 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.7 p -86.43 52.98 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -42.13 44.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.003 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.96 -29.58 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.67 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.06 88.16 3.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.425 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.408 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 75.4 Cg_endo -76.82 92.6 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.577 2.185 . . . . 0.0 112.219 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 32' ' ' PRO . 92.9 m-70 -159.33 62.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.473 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 1.9 m -160.41 139.33 10.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -34.33 62.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.259 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CZ ' ' CB ' ' A' ' 34' ' ' SER . 6.6 p90 -57.32 -27.79 62.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.275 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.79 -40.6 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.452 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.5 mm? -65.24 -25.51 67.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.548 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.67 -27.26 32.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.345 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.5 t -61.35 -34.09 74.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.494 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.12 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.6 p -77.11 -168.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.846 0.355 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.83 146.11 21.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.47 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 20.0 t-105 -77.65 161.13 28.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.691 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -133.37 143.41 48.93 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.15 -22.92 12.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.271 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.94 -31.6 41.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -148.32 21.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.47 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 43.93 79.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.927 0.394 . . . . 0.0 111.326 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HB2' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -171.24 132.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.901 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.39 161.28 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.45 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -167.11 140.16 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.824 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.89 160.67 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.5 t -71.87 -31.65 66.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.29 97.34 7.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.07 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 m -85.67 52.54 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -111.41 -26.73 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.087 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.35 -32.24 10.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.23 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.98 84.2 4.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.26 108.52 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.548 2.165 . . . . 0.0 112.214 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -155.75 60.49 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.759 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.457 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -169.51 148.98 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.91 -30.11 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.174 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 12.0 p90 -58.88 -42.92 90.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.299 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.521 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 9.4 p -74.45 -31.94 62.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -15.95 63.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.22 -19.82 9.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.737 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 p -74.81 -5.8 45.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.631 0.253 . . . . 0.0 111.309 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 111.347 -179.446 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.8 m -149.29 174.09 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.699 0.285 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.37 152.75 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.962 0.411 . . . . 0.0 111.154 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CG ' ' N ' ' A' ' 16' ' ' SER . 7.0 t-105 -79.55 164.79 23.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.494 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.493 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -140.51 140.67 35.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.963 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.69 -18.37 15.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.416 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -33.52 22.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.729 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -149.09 21.98 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 72.7 m-20 44.31 80.2 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.345 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.729 ' HB2' HD12 ' A' ' 19' ' ' LEU . 5.3 mttt -173.19 127.65 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.781 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.89 157.73 36.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -170.55 138.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.65 156.02 17.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 m -60.56 -32.09 71.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.96 95.93 6.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.39 -46.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -87.58 53.17 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 ttm105 -98.56 -34.0 10.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.13 -30.98 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.23 83.63 15.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.53 96.18 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.466 2.111 . . . . 0.0 112.268 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -159.77 62.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.01 -162.76 1.39 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.654 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.43 -38.47 3.01 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -59.62 -28.34 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.125 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.0 m -72.6 -36.39 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.803 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.49 -29.98 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.86 -30.42 26.34 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.97 -43.4 71.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.817 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.154 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.376 -0.29 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.4 p -73.85 -165.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.676 0.274 . . . . 0.0 110.755 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.49 146.05 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 111.27 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.471 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.0 t-105 -77.51 160.23 28.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.436 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.3 OUTLIER -135.74 143.13 45.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.783 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.66 -25.77 12.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.33 -30.92 52.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.809 ' O ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -142.34 17.74 2.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 41.97 76.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.473 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -170.51 141.15 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.78 149.72 37.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.439 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -153.58 143.83 22.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.62 179.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -16.98 59.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.264 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.72 107.6 18.69 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.799 0.333 . . . . 0.0 111.249 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.44 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.6 p -85.86 53.0 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 111.18 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -101.57 31.11 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.726 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.12 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.36 97.34 35.43 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.73 -166.9 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.397 2.065 . . . . 0.0 112.312 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 m80 65.28 58.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.77 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -129.49 118.29 21.86 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.959 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -24.99 67.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' A' ' 34' ' ' SER . 42.9 p90 -80.41 -1.8 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.581 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 m -109.82 -41.04 4.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 39' ' ' GLY . 4.4 pp -64.23 -28.68 69.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.561 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.734 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -85.89 -25.21 38.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.356 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.1 t -91.55 23.64 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 111.202 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 111.066 179.872 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.677 -0.169 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -57.85 -168.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.5 m -153.79 143.57 21.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.479 ' CG ' ' N ' ' A' ' 16' ' ' SER . 15.0 t-105 -66.84 164.07 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.758 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -143.1 116.97 9.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.768 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.97 -23.73 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.205 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.42 -27.38 24.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.158 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.616 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -150.86 22.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.393 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.438 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 21.3 m-20 44.49 79.5 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.533 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.616 ' HB2' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -176.27 150.35 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.89 141.17 28.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.745 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.7 tpt -138.67 135.7 35.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.804 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.19 162.27 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -75.15 -30.18 60.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.84 61.96 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.0 0.429 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.3 59.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.643 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.19 45.35 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.338 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.53 -31.32 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.08 0.467 . . . . 0.0 110.309 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.616 ' O ' ' HD2' ' A' ' 32' ' ' PRO . . . -78.54 -23.0 46.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.912 ' HB3' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 54.87 -97.85 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 118.486 -0.768 . . . . 0.0 111.706 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.912 ' CD ' ' HB3' ' A' ' 31' ' ' ARG . 55.4 Cg_endo -68.78 71.08 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 CA-C-N 121.726 1.652 . . . . 0.0 112.089 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.16 40.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.407 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 3.1 m -168.76 133.92 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.38 -31.2 62.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 15.8 p90 -65.74 -33.8 76.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.016 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -68.42 -31.62 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.797 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -30.31 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.85 -43.09 6.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.425 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.79 -26.69 63.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.311 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.13 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.627 -0.189 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -141.23 149.04 40.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.859 0.361 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 p -82.84 -177.63 6.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.227 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.459 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 37.0 t-105 -118.55 158.3 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.511 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.58 130.24 29.91 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.16 -21.14 18.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.273 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.11 -32.97 24.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.81 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -148.67 22.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.086 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 4.2 m-20 43.85 80.69 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.337 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.763 ' HB2' HD12 ' A' ' 19' ' ' LEU . 10.3 mttp -171.81 127.91 0.62 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.5 m -57.94 167.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.429 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -162.31 126.85 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.922 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.49 150.16 32.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -28.6 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.57 -0.63 57.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.621 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -64.5 -16.6 62.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.659 0.266 . . . . 0.0 111.281 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 m -84.7 53.01 2.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.905 0.384 . . . . 0.0 111.039 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -96.41 40.77 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.86 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.28 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.02 87.94 23.18 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.46 59.62 6.2 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.572 2.181 . . . . 0.0 112.394 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.83 59.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.87 -163.06 1.1 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.635 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.02 -53.97 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.429 ' CD2' ' HB3' ' A' ' 23' ' ' MET . 48.5 p90 -63.48 -27.08 69.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.42 -31.51 48.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.68 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.88 -31.38 70.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.78 -29.03 7.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.434 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.41 22.06 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.271 -179.824 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -94.02 -165.33 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.927 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.68 148.57 42.55 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.922 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.0 t-105 -76.89 164.49 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.555 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -143.34 141.21 30.87 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.976 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.61 -20.91 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.33 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -54.18 -35.54 62.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.797 ' O ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -137.57 17.62 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.08 0.467 . . . . 0.0 111.208 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 3.1 m-20 45.64 70.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.424 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.6 176.55 8.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.67 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.77 146.95 39.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 36' ' ' PHE . 3.1 tpt -165.28 135.1 3.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -57.36 152.1 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 7.0 p -86.4 -35.16 19.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.071 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.97 -27.59 2.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.371 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -59.7 -40.32 87.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 p -86.52 52.71 2.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.961 0.41 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -96.55 36.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.12 -41.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.3 86.53 57.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.747 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.73 110.55 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.614 2.209 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -159.04 59.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.464 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -165.65 141.93 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.64 -38.7 80.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.083 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 20.8 p90 -59.17 -21.87 60.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.335 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -80.78 -38.47 28.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.937 0.398 . . . . 0.0 110.557 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -27.98 68.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.653 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.97 -26.58 31.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.429 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 3.9 t -61.01 -28.28 68.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 -179.909 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.0 152.64 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.334 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 p -88.8 144.2 26.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.287 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.472 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 25.4 t-105 -76.65 160.93 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.505 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.439 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -139.09 115.92 10.8 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.95 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.27 -23.75 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -30.13 56.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.09 19.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.282 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.472 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 11.8 m-20 41.67 78.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.558 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.6 130.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.54 162.09 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 ttt -166.79 135.78 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.52 154.86 13.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.5 t -58.24 -20.53 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.298 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.0 -145.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.1 -64.08 0.39 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.698 0.285 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -84.58 52.86 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -83.93 1.89 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.359 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.8 -48.18 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.817 0.341 . . . . 0.0 111.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -108.89 85.9 3.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.51 107.01 2.29 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.586 2.191 . . . . 0.0 112.264 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -155.8 60.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.406 ' HG ' ' HE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -153.11 -162.6 1.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -114.81 -40.88 3.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 54.4 p90 -62.46 -47.63 83.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 27.7 p -77.96 -27.44 49.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.46 -15.51 62.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.287 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.42 -29.16 3.27 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.767 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.0 p -62.45 -33.59 75.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.949 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.267 -179.871 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.2 p -94.18 -164.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.723 0.296 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -155.34 126.37 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.058 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 16' ' ' SER . 20.4 t-105 -57.97 162.42 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.739 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.475 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -142.52 126.59 17.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.15 -21.84 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.299 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -30.42 38.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HE2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -147.0 20.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 42.39 79.75 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.674 179.654 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HE2' HD22 ' A' ' 19' ' ' LEU . 9.7 pttt -178.71 134.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.0 p -62.91 160.09 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.11 125.73 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.49 163.68 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -30.32 67.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.39 77.66 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -166.06 -42.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.7 p -107.71 52.65 0.71 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.977 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -97.36 38.03 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.46 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.47 87.38 36.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.2 103.87 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.608 2.205 . . . . 0.0 112.298 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -158.04 61.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.456 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 48.2 m -167.56 145.13 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -57.02 -43.45 81.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.199 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 9.8 p90 -60.26 -27.48 67.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.071 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 3.2 t -78.33 -37.19 45.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.8 -29.48 66.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.43 -39.9 4.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.664 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -76.67 -54.8 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 37' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.282 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.788 0.328 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.56 124.19 24.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.76 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.486 ' HB3' ' CG2' ' A' ' 6' ' ' THR . . . -163.73 143.14 6.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.179 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -61.95 77.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.614 2.209 . . . . 0.0 112.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 6' ' ' THR . . . 115.44 -123.86 6.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.714 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 3' ' ' ALA . 0.1 OUTLIER 44.36 104.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.162 0.506 . . . . 0.0 111.762 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 8' ' ' PRO . . . -108.42 163.8 16.16 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.164 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 7' ' ' ALA . 97.1 Cg_endo -78.89 54.59 5.2 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.721 2.281 . . . . 0.0 112.634 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 52.17 96.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.6 p -152.66 123.53 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.16 91.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.56 -110.53 3.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t 48.13 -171.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.328 . . . . 0.0 111.287 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.9 t -160.33 140.96 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.1 t-105 -75.48 164.52 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -136.2 123.08 21.29 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.68 -23.22 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.302 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -55.51 -34.57 64.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.23 21.4 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 5.9 p-10 42.25 80.67 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.492 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.58 141.92 1.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.33 158.79 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.3 131.35 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.58 176.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.9 m -94.3 0.52 55.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.363 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 55.65 3.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.85 0.357 . . . . 0.0 111.27 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -175.88 34.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.003 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.91 44.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 27.18 7.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 178.88 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.312 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -106.48 91.64 6.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.239 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.34 100.76 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.605 2.203 . . . . 0.0 112.208 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -157.99 61.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.43 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -174.06 146.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -65.25 -41.61 94.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.256 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 26.8 p90 -59.89 -20.2 55.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.272 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.4 m -73.77 -33.43 64.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 110.653 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.06 -30.67 71.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.8 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.92 -32.77 31.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.367 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.67 -50.62 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -65.61 -173.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.283 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 41' ' ' ALA . . . 68.09 12.04 8.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.574 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.66 95.29 0.04 OUTLIER Pre-proline 0 C--N 1.332 -0.158 0 CA-C-O 120.603 0.239 . . . . 0.0 111.508 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.466 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 51.5 Cg_exo -52.56 -46.42 33.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.397 2.065 . . . . 0.0 112.485 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 44' ' ' PRO . 91.0 Cg_endo -80.51 179.39 6.14 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.317 2.011 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.94 146.66 7.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.69 -167.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.471 2.114 . . . . 0.0 112.22 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -75.87 -42.68 48.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.07 -63.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -176.47 160.61 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mp -126.89 173.88 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -117.08 88.79 28.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo . . . . . 0 C--O 1.25 1.075 0 C-N-CA 122.571 2.181 . . . . 0.0 112.356 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.773 0.321 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -146.89 -179.7 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.792 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -177.04 -62.35 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.002 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.792 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 61.2 Cg_endo -73.16 149.68 46.47 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.576 2.184 . . . . 0.0 112.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.97 -54.05 2.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.551 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 m -96.93 38.49 1.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.755 0.312 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.08 106.84 0.71 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.81 63.41 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.431 2.087 . . . . 0.0 112.317 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 m 57.45 71.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.4 m -93.13 -46.07 7.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -157.14 136.35 11.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.41 -52.58 1.06 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -92.85 -169.65 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.712 0.291 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.96 152.01 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.202 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.4 t-105 -75.3 162.06 28.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.67 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.461 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -143.11 133.25 24.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.9 -20.4 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.36 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -52.11 -30.51 26.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.87 21.79 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.271 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.466 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 1.7 m-20 43.26 77.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.471 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -177.76 135.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.69 156.48 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.02 121.87 5.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.818 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.58 169.64 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -24.71 58.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.8 64.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 111.224 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.49 37.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.6 t -160.91 41.35 0.16 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -78.29 -2.44 37.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.191 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.82 -33.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.68 0.276 . . . . 0.0 111.362 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.78 111.95 9.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.138 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -85.9 -164.98 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.827 2.352 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 67.2 61.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.107 0.479 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 2.4 m -159.13 120.98 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.928 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.18 -27.42 68.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.249 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 23.9 p90 -71.89 -18.49 62.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.056 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.7 m -77.29 -33.72 55.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.852 0.358 . . . . 0.0 110.661 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.08 -25.88 15.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -97.61 28.99 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -165.51 86.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 71.96 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.64 161.28 64.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -51.76 176.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.565 2.177 . . . . 0.0 112.266 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -51.47 -40.41 63.01 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.538 2.158 . . . . 0.0 112.286 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.08 135.68 24.81 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.35 132.99 15.56 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.525 2.15 . . . . 0.0 112.354 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 60.04 -167.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.674 ' HB3' HD12 ' A' ' 50' ' ' LEU . 4.8 mtp180 65.36 131.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.674 HD12 ' HB3' ' A' ' 49' ' ' ARG . 1.2 mp 60.86 66.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mp -105.04 147.9 27.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.437 ' CB ' ' CD ' ' A' ' 53' ' ' PRO . 2.8 m95 -92.34 -64.57 0.15 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 52' ' ' TRP . 69.4 Cg_endo . . . . . 0 C--O 1.249 1.057 0 C-N-CA 122.265 1.977 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.723 0.296 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.58 -71.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.974 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.51 75.18 0.62 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.176 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.71 177.63 6.03 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.496 2.131 . . . . 0.0 112.326 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.19 -73.86 1.87 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -100.59 131.82 46.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 8' ' ' PRO . . . -121.75 163.14 32.85 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 7' ' ' ALA . 75.3 Cg_endo -78.0 54.28 4.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.685 2.257 . . . . 0.0 112.582 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 64.4 m 47.92 36.18 5.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.357 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.09 28.46 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.66 31.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.747 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.81 -30.22 0.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.38 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -119.86 -172.64 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.666 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -158.35 155.12 28.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' ' 16' ' ' SER . 4.7 t-105 -76.44 165.18 25.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.525 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.512 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -147.55 117.33 7.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.49 -22.99 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.51 -26.3 12.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.06 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.7 20.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.324 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.502 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 42.33 80.22 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.471 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 172.36 142.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.29 162.98 16.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.689 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.408 ' HB3' ' CG ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -160.7 121.13 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.07 173.81 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -22.08 52.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.44 -59.78 4.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.248 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 m -69.82 64.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.34 39.22 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -112.63 -24.85 9.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.19 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.401 ' HB3' ' HD2' ' A' ' 31' ' ' ARG . . . -110.87 -28.89 8.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.38 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 1.2 mpt_? -120.22 72.01 18.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.144 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.74 79.25 3.11 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.613 2.209 . . . . 0.0 112.222 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -162.04 63.75 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.605 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.483 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -154.02 141.34 19.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -59.91 -32.22 70.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.405 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.483 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 5.3 p90 -62.31 -19.36 63.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.709 0.29 . . . . 0.0 111.089 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.2 -50.67 8.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.837 0.351 . . . . 0.0 110.794 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 38' ' ' LEU . 4.0 mm? -57.17 -28.76 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.06 -29.56 33.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.354 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.0 t -77.8 -53.04 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 110.734 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 56.93 105.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 60.96 172.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.99 150.38 48.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.47 153.76 65.4 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.556 2.171 . . . . 0.0 112.271 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.04 179.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.586 2.19 . . . . 0.0 112.25 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.44 122.89 38.13 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.14 176.76 8.04 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.4 2.066 . . . . 0.0 112.373 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -60.6 163.72 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 63.8 32.39 13.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -151.3 159.21 44.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.5 177.26 9.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.04 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.438 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -156.26 79.1 4.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.631 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.573 2.182 . . . . 0.0 112.275 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.744 0.307 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -108.9 -44.31 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.812 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.774 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -73.55 -61.22 1.44 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 59.8 Cg_endo -72.5 133.58 20.92 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.544 2.163 . . . . 0.0 112.275 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.18 61.03 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.81 165.61 10.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.85 148.06 92.55 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.014 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.64 62.47 2.96 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.46 2.107 . . . . 0.0 112.211 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 59.46 65.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.93 119.71 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 60.75 106.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.64 -25.79 9.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.597 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.6 p -98.27 -164.6 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.2 t -157.51 150.92 23.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.492 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 21.0 t-105 -83.29 162.99 20.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.728 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.474 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -143.16 154.35 43.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.16 -13.73 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.635 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -50.43 -32.06 16.76 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.11 25.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.492 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.9 OUTLIER 46.84 79.39 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.948 0.404 . . . . 0.0 111.09 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -175.51 124.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.766 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 15' ' ' TRP . 27.4 p -69.56 154.8 41.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.402 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -157.02 127.45 6.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.984 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' OD1' ' HB3' ' A' ' 26' ' ' ALA . 19.1 p30 -65.51 176.13 1.56 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.1 m -64.38 -22.85 67.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' A' ' 24' ' ' ASP . . . -53.41 -35.1 60.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.379 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 5.1 t -66.52 -46.98 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -86.37 52.95 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -97.65 -31.76 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.86 -28.45 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.863 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.27 93.43 8.08 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.676 0.274 . . . . 0.0 111.409 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.68 78.33 3.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.579 2.186 . . . . 0.0 112.104 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -161.43 63.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.445 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -153.91 136.07 14.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.11 -41.19 78.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 10.1 p90 -60.75 -25.59 66.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.795 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.94 -31.52 71.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.619 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 38' ' ' LEU . 4.4 tt -60.75 -32.75 72.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.62 -34.52 56.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.253 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.48 -60.18 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.739 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 53.27 44.37 30.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.428 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.98 31.85 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.39 87.77 10.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.41 154.4 11.6 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.556 2.171 . . . . 0.0 112.288 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.35 133.61 48.82 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.577 2.185 . . . . 0.0 112.392 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 47' ' ' PRO . . . -73.69 -61.35 1.37 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 46' ' ' ALA . 58.7 Cg_endo -72.25 172.79 14.16 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.558 2.172 . . . . 0.0 112.389 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -104.71 174.89 5.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -72.2 152.44 42.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.755 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tp -101.68 131.93 47.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.813 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -165.32 166.57 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.408 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -72.59 -53.07 6.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 52' ' ' TRP . 68.9 Cg_exo . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.563 2.175 . . . . 0.0 112.211 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.798 0.332 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -137.17 179.86 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.61 86.51 3.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.85 -59.82 0.92 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.591 2.194 . . . . 0.0 112.326 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.7 -45.85 0.54 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.755 HG21 ' HB2' ' A' ' 10' ' ' SER . 0.4 OUTLIER 62.85 119.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.856 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.783 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . . . -104.84 -55.28 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.548 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 7' ' ' ALA . 6.0 Cg_exo -78.41 43.94 1.52 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.721 2.281 . . . . 0.0 112.547 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t 55.55 169.94 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.755 ' HB2' HG21 ' A' ' 6' ' ' THR . 32.8 t -141.59 -169.58 2.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.734 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 151.38 44.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.42 -135.32 45.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.8 p 48.19 -164.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.684 0.278 . . . . 0.0 111.295 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -154.09 132.51 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.459 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 32.3 t-105 -58.87 160.31 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.688 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.434 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -139.91 131.8 27.64 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.66 -19.93 18.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.317 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.4 -31.02 21.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.01 22.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 44.78 80.58 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.875 0.369 . . . . 0.0 111.223 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -177.46 125.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 99.3 m -59.64 155.96 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.26 139.52 9.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.23 163.17 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.5 t -81.19 -29.91 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.07 95.39 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.4 t -173.6 -45.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -94.62 41.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -70.97 -22.78 62.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.29 -51.86 3.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.328 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.01 131.77 15.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.087 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.73 112.65 3.17 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.605 2.204 . . . . 0.0 112.327 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.13 59.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 m -164.19 142.15 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -43.88 96.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.042 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.461 ' CZ ' ' CB ' ' A' ' 34' ' ' SER . 25.8 p90 -62.18 -28.36 69.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.9 m -76.08 -32.88 59.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.712 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.89 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.665 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.03 -36.0 11.78 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.341 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.8 t -61.8 -26.78 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.821 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.58 -62.08 2.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.83 -175.47 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.415 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . . . -117.4 93.01 41.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HG2' ' HD3' ' A' ' 45' ' ' PRO . 4.9 Cg_exo -39.61 -52.83 2.45 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.034 2.489 . . . . 0.0 112.703 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 81.4 Cg_exo -43.93 119.08 1.81 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.505 2.136 . . . . 0.0 112.554 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 47' ' ' PRO . . . -72.36 -61.0 1.92 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 46' ' ' ALA . 56.0 Cg_endo -70.54 141.06 41.15 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.506 2.137 . . . . 0.0 112.417 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -94.56 -32.37 13.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.49 -14.63 18.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.359 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.19 83.19 0.17 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.353 . . . . 0.0 110.82 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 mt -102.57 160.84 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -107.29 92.11 7.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo . . . . . 0 C--O 1.25 1.08 0 C-N-CA 122.522 2.148 . . . . 0.0 112.294 -179.91 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.835 0.35 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.42 -30.93 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.747 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -59.31 -52.94 70.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.065 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.747 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 56.4 Cg_exo -51.74 115.17 1.94 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.53 2.153 . . . . 0.0 112.359 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.97 121.65 5.9 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.9 p -141.67 -119.84 0.11 Allowed 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.01 -0.112 . . . . 0.0 110.746 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.6 93.82 6.48 Favored Pre-proline 0 N--CA 1.456 -0.164 0 CA-C-O 120.616 0.246 . . . . 0.0 111.156 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.08 66.17 3.37 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.487 2.124 . . . . 0.0 112.168 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.8 m -50.66 177.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.198 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.95 31.05 18.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.761 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 28.26 2.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.41 -35.46 2.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.597 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.1 p -91.63 143.05 26.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 p -79.49 -177.25 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.192 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.3 t-105 -122.01 160.56 24.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.375 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.427 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 1.1 m -136.57 115.14 11.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.856 0.36 . . . . 0.0 111.067 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.87 -23.07 25.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.61 -30.61 61.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.83 20.5 1.28 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.318 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 66.7 m-20 44.87 82.13 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.554 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.13 135.74 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -77.02 163.57 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.744 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.2 128.85 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.83 158.44 10.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -25.36 55.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.064 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.89 100.15 12.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -48.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.0 p -89.38 54.06 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -90.1 -28.15 19.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.84 -42.05 2.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.365 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -108.18 86.77 3.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.142 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.76 87.31 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.581 2.188 . . . . 0.0 112.17 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -161.03 63.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.46 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -150.07 135.02 17.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.79 -40.48 75.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 10.5 p90 -61.9 -31.45 71.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 43.6 t -71.83 -30.38 65.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.37 -29.56 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -92.86 -29.62 10.41 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -29.96 58.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.756 0.313 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.37 79.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 59.23 103.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.68 143.69 30.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.11 127.12 11.05 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.538 2.159 . . . . 0.0 112.428 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.554 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 31.4 Cg_exo -58.93 -17.14 35.7 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.527 2.151 . . . . 0.0 112.483 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 45' ' ' PRO . . . 78.3 107.62 0.03 OUTLIER Pre-proline 0 CA--C 1.529 0.145 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.063 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.12 -157.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.709 2.273 . . . . 0.0 112.415 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 71.63 -170.88 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 165.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 tp -170.94 118.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -123.2 148.0 46.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -135.43 72.18 65.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 C--O 1.25 1.091 0 C-N-CA 122.553 2.168 . . . . 0.0 112.315 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.808 0.337 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -111.23 77.29 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.39 67.38 1.89 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.6 126.65 22.5 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.455 2.103 . . . . 0.0 112.312 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.66 25.52 4.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.675 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.569 HG22 ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -115.01 153.6 30.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.728 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . . . -59.79 -51.67 79.17 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.236 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.728 ' HD3' ' HB3' ' A' ' 7' ' ' ALA . 8.2 Cg_exo -72.17 51.11 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.726 2.284 . . . . 0.0 112.302 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.7 t -68.54 111.06 4.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 m 59.9 -177.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.74 129.57 49.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.72 57.92 15.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.417 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 m -135.7 -171.64 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.74 138.83 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.206 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.474 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 31.0 t-105 -56.2 159.66 3.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.72 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -138.59 129.24 26.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.901 0.381 . . . . 0.0 111.042 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.78 -21.87 18.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.322 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -52.44 -31.49 34.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.1 22.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 5.3 p-10 42.1 80.14 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.628 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -178.46 123.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.5 p -65.54 135.98 55.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.771 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.53 146.39 28.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -59.9 167.59 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.054 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.9 m -102.62 0.42 33.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.409 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.18 -34.5 60.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 111.192 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -61.71 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -86.68 53.33 2.78 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -71.97 -9.57 58.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.55 -31.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.21 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HG3' ' CE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -97.87 112.28 61.25 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -179.628 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.19 127.82 13.15 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.365 2.043 . . . . 0.0 112.226 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 1.4 p-80 -173.12 45.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.463 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -174.26 146.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.56 -38.72 87.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.221 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.463 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 9.5 p90 -58.48 -24.13 59.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.114 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.5 m -67.24 -36.04 80.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.364 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.64 -30.23 69.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.77 -39.73 47.12 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.218 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.8 m -75.23 -47.77 26.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.588 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.43 74.95 10.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.19 126.03 28.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 58.7 95.76 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -48.89 105.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.486 2.124 . . . . 0.0 112.411 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.35 -44.08 49.32 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.458 2.105 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -136.34 158.59 73.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 56.9 Cg_endo -70.76 -168.07 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.624 2.216 . . . . 0.0 112.303 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -74.57 162.82 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' HB3' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -59.14 102.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' H ' HD12 ' A' ' 50' ' ' LEU . 3.8 mp -76.13 89.7 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 49' ' ' ARG . 4.5 mt -130.0 -176.74 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.521 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 96.6 m95 -67.58 -47.0 47.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.393 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.521 ' HD3' ' HB2' ' A' ' 52' ' ' TRP . 55.3 Cg_exo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.337 2.024 . . . . 0.0 112.277 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -108.25 -30.0 8.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.624 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -57.71 -61.67 6.87 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.349 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 25.9 Cg_endo -62.08 177.9 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.468 2.112 . . . . 0.0 112.281 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.62 -127.95 1.4 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.692 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.517 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 12.3 t -134.93 -161.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 6' ' ' THR . . . 74.71 120.81 0.03 OUTLIER Pre-proline 0 C--N 1.333 -0.142 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -79.97 70.24 7.6 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.579 2.186 . . . . 0.0 112.406 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.5 m -134.49 155.75 49.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -163.62 -49.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.44 105.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.41 36.27 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.578 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 t -142.84 148.44 37.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.803 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 p -84.41 161.93 20.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 21.5 t-105 -105.08 159.82 15.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.417 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -132.23 144.05 50.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 111.047 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.37 -22.05 12.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.285 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -51.92 -35.06 44.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.23 23.28 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.029 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 47.01 81.03 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.209 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -172.18 127.53 0.57 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.75 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 15' ' ' TRP . 16.6 p -80.7 164.89 22.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.17 133.04 5.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.27 153.12 27.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -20.14 65.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.11 -24.73 10.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.566 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 t -58.14 -47.33 83.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 m -86.88 52.78 2.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.527 ' NH1' ' HB2' ' A' ' 30' ' ' ALA . 7.8 ppt_? -61.55 -28.06 69.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.527 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . . . -113.02 -55.49 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.05 161.2 37.72 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.107 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.25 160.96 45.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.399 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -176.99 40.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.72 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.431 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -177.4 150.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.16 -46.89 79.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 10.1 p90 -57.83 -28.97 64.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.434 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 9.1 t -71.89 -33.64 68.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 38' ' ' LEU . 3.5 mm? -59.83 -30.09 68.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.28 -30.33 22.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.411 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -83.61 -51.88 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.85 108.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.46 82.73 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.52 92.38 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.453 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 32.2 Cg_exo -56.97 -47.3 23.75 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.501 2.134 . . . . 0.0 112.548 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 44' ' ' PRO . 90.3 Cg_endo -81.05 -170.07 0.93 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.393 2.062 . . . . 0.0 112.305 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.48 110.66 3.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -73.72 162.0 40.56 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.456 2.104 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.1 137.69 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.798 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -104.56 -25.61 12.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.43 30.06 13.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mp -110.73 -166.35 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.787 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 13.0 m95 63.93 87.73 0.12 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.249 1.074 0 C-N-CA 122.6 2.2 . . . . 0.0 112.263 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.791 0.329 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.07 179.18 5.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.82 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -179.35 -55.63 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.82 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 64.1 Cg_exo -51.16 -44.86 40.22 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.495 2.13 . . . . 0.0 112.443 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.07 -177.49 47.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.5 m 63.43 138.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.879 0.371 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.82 148.4 69.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -80.16 52.76 4.45 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.672 2.248 . . . . 0.0 112.611 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p -80.88 82.3 6.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 t 63.78 129.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.37 130.33 42.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.51 58.56 1.52 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.598 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.4 t -150.85 138.65 19.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.3 p -92.3 178.38 5.86 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.234 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 14.3 t-105 -108.55 161.08 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.477 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.454 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -144.21 143.67 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.956 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.24 -18.17 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.334 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.33 -31.01 42.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.95 22.49 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.212 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.477 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 46.13 82.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.381 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -175.18 175.35 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.64 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.11 143.61 42.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.813 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.28 127.56 39.78 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -60.32 151.67 27.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.15 -29.89 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.6 66.74 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.223 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -176.35 34.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.87 38.92 0.06 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -106.29 41.57 1.4 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -166.2 -40.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.571 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -138.79 96.85 9.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.662 0.268 . . . . 0.0 111.505 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.96 101.18 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.574 2.183 . . . . 0.0 112.16 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.68 61.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.446 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -168.14 144.03 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.999 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.48 -45.45 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 10.1 p90 -61.14 -19.79 61.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.7 t -79.94 -38.39 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.71 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -30.19 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.71 -41.41 12.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.37 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.6 -42.26 71.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 122.03 15.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -131.39 -46.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.12 99.6 40.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.95 149.6 82.95 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.38 2.053 . . . . 0.0 112.315 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.84 165.15 33.58 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.511 2.141 . . . . 0.0 112.45 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -119.36 154.57 54.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.55 178.62 4.87 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.567 2.178 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -168.5 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 61.2 -170.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.64 159.3 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.815 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.637 ' N ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -106.89 170.94 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.988 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.24 62.94 21.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.986 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.438 ' CD ' HD23 ' A' ' 51' ' ' LEU . 46.6 Cg_endo . . . . . 0 C--O 1.25 1.082 0 C-N-CA 122.65 2.234 . . . . 0.0 112.303 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.79 0.329 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 68.9 -67.7 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.986 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -176.85 161.59 1.59 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 57.5 Cg_endo -70.97 102.38 1.21 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.548 2.165 . . . . 0.0 112.258 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.65 18.33 2.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.702 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 63.26 135.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.854 0.359 . . . . 0.0 111.001 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.68 67.95 2.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.44 61.99 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.813 2.342 . . . . 0.0 112.449 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.6 m 52.19 43.53 30.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.199 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 105.43 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -175.51 -177.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.96 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.27 -6.24 64.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.951 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.3 p -56.88 -166.79 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.303 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.75 129.35 18.08 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.49 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 10.6 t-105 -55.0 162.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.587 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.464 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 1.2 m -135.22 129.16 33.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.41 -21.73 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.315 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.76 -35.34 61.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.961 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.76 21.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.49 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 1.6 m-20 44.75 78.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.357 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.35 139.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.65 159.17 25.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.448 ' HB3' ' CG ' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -168.81 137.52 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.19 161.05 5.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.3 m -83.86 -32.09 25.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.95 96.31 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.35 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.32 51.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.334 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 4.1 ttt180 -78.64 -3.4 43.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.007 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 29' ' ' ARG . . . 177.72 -32.15 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 mmt-85 -71.78 112.68 15.07 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.143 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.16 -163.98 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.535 2.157 . . . . 0.0 112.216 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m80 67.89 61.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.419 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 14.0 m -161.77 138.2 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.107 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.8 -16.56 16.56 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.29 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CG ' ' HB3' ' A' ' 23' ' ' MET . 35.5 p90 -70.52 -45.85 64.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.302 . . . . 0.0 111.108 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 6.4 p -74.28 -23.74 59.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.848 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.13 -27.75 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.48 -42.64 2.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -25.25 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 111.081 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.11 -65.77 0.52 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.245 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.35 125.84 5.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.67 75.14 0.38 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.31 110.12 2.59 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.623 2.216 . . . . 0.0 112.265 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.87 89.89 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.52 2.147 . . . . 0.0 112.283 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -172.5 137.36 0.86 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.064 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.0 109.12 2.82 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.603 2.202 . . . . 0.0 112.308 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.67 -31.64 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -105.09 -179.17 3.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.81 155.71 47.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.737 ' O ' ' HB2' ' A' ' 52' ' ' TRP . 1.2 tp -131.82 173.68 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.737 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER 100.33 -65.08 0.0 OUTLIER Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 124.041 0.937 . . . . 0.0 111.562 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' A' ' 52' ' ' TRP . 92.9 Cg_endo . . . . . 0 C--O 1.249 1.036 0 C-N-CA 122.181 1.921 . . . . 0.0 112.443 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.759 0.314 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.36 111.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.2 144.75 28.62 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.28 -175.38 2.18 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.508 2.139 . . . . 0.0 112.323 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.6 70.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.64 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 t -76.53 -28.62 56.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.01 0.433 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.71 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . . . -75.9 -60.25 1.04 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.464 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 7' ' ' ALA . 42.0 Cg_endo -68.06 58.74 0.91 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.482 2.121 . . . . 0.0 112.302 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.2 m 63.98 -178.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.97 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.1 m -134.66 -173.78 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.82 128.78 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.85 -41.97 2.01 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.487 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 p -80.68 -175.61 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 m -152.1 142.86 22.9 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.99 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.495 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.2 t-105 -79.72 164.91 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.495 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -138.14 125.18 21.39 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.52 -20.98 19.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.296 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -54.67 -31.64 57.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.25 21.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.225 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER 44.73 81.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.351 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -173.33 139.56 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.762 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -77.83 160.9 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.8 124.43 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -63.02 166.31 5.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -26.88 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.02 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.11 -30.6 64.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.27 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 t -90.52 46.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.7 t -161.55 39.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -109.27 37.79 2.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.03 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.188 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -113.05 72.43 1.49 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.17 90.45 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.448 2.098 . . . . 0.0 112.238 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -161.19 63.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.65 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.462 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 72.7 m -161.68 144.32 11.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.69 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.545 ' HA ' HD21 ' A' ' 38' ' ' LEU . 19.1 t70 -54.94 -39.71 69.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.253 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.462 ' CE2' ' CB ' ' A' ' 34' ' ' SER . 23.4 p90 -64.43 -16.56 62.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.957 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.9 m -87.33 -54.04 4.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.639 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -61.14 -19.78 61.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.682 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.28 -31.69 7.84 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.25 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.3 t -68.05 -40.28 82.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.861 0.363 . . . . 0.0 110.785 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.18 123.38 16.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.95 76.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 62.53 146.79 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.95 140.27 93.29 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.554 2.169 . . . . 0.0 112.198 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -79.09 159.38 26.91 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.553 2.169 . . . . 0.0 112.404 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 99.15 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -51.04 137.37 44.68 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.554 2.169 . . . . 0.0 112.301 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -107.97 -33.75 7.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.81 137.29 41.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.2 mt -109.77 125.7 52.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mt -130.44 172.59 11.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -58.96 109.34 1.8 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.39 2.06 . . . . 0.0 112.281 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.778 0.323 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 69.08 -65.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.71 144.65 72.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.201 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.67 -62.13 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.501 2.134 . . . . 0.0 112.289 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.68 130.97 2.57 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.4 m -142.06 135.6 29.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.336 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.1 143.07 36.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.77 54.85 5.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.602 2.201 . . . . 0.0 112.462 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -30.67 70.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.1 m 61.84 178.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -66.46 144.61 56.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.72 -63.5 0.28 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 24' ' ' ASP . 60.5 p -94.59 -167.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -159.3 132.27 6.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.291 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.505 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 8.6 t-105 -61.12 162.68 6.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.484 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -140.45 137.98 34.34 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 110.951 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.82 -23.54 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.71 -35.81 66.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.804 ' O ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -134.29 18.41 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.505 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 41.68 74.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.489 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' N ' ' CZ3' ' A' ' 15' ' ' TRP . 3.1 mmtm -170.55 172.13 6.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.616 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.25 142.17 34.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.763 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.437 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -148.71 141.82 24.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.791 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -59.96 154.77 18.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 -179.791 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.2 t -67.43 -28.44 67.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.94 100.49 13.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.142 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 p -170.25 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.7 p -86.43 52.98 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -42.13 44.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.003 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.96 -29.58 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.67 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.06 88.16 3.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.425 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.408 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 75.4 Cg_endo -76.82 92.6 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.577 2.185 . . . . 0.0 112.219 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 32' ' ' PRO . 92.9 m-70 -159.33 62.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.473 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 1.9 m -160.41 139.33 10.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -34.33 62.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.259 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CZ ' ' CB ' ' A' ' 34' ' ' SER . 6.6 p90 -57.32 -27.79 62.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.275 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.79 -40.6 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.452 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.5 mm? -65.24 -25.51 67.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.548 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.67 -27.26 32.74 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.345 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.5 t -61.35 -34.09 74.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.494 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.29 107.92 12.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.82 127.13 30.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.736 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -123.55 113.1 29.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.523 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 50.6 Cg_exo -54.78 -47.32 27.32 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.517 2.144 . . . . 0.0 112.662 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 44' ' ' PRO . 72.3 Cg_endo -75.2 -5.7 17.02 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.239 1.959 . . . . 0.0 112.65 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.736 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . . . -115.76 68.89 3.15 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.062 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.43 -173.85 1.45 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.552 2.168 . . . . 0.0 112.366 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.47 179.26 4.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 59.94 -159.75 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.77 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt 68.34 156.28 0.13 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.88 0.371 . . . . 0.0 110.777 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tp -57.08 176.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.439 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -58.27 -57.23 27.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 52' ' ' TRP . 61.0 Cg_endo . . . . . 0 C--O 1.25 1.087 0 C-N-CA 122.425 2.083 . . . . 0.0 112.319 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.793 0.33 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.61 32.0 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -84.82 162.68 49.22 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.3 Cg_exo -52.08 -57.48 2.11 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.562 2.175 . . . . 0.0 112.254 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.44 -105.73 0.29 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m 59.73 29.92 19.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.321 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.889 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . . . -126.26 -58.79 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.889 ' HD3' ' HB3' ' A' ' 7' ' ' ALA . 13.6 Cg_exo -69.73 52.6 1.0 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.403 2.069 . . . . 0.0 112.443 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.6 t 57.93 163.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.989 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.0 t -58.99 148.26 31.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.11 138.86 58.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.74 -39.14 2.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.6 p -77.11 -168.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.846 0.355 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.83 146.11 21.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.47 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 20.0 t-105 -77.65 161.13 28.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.691 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -133.37 143.41 48.93 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.15 -22.92 12.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.271 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.94 -31.6 41.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -148.32 21.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.47 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 43.93 79.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.927 0.394 . . . . 0.0 111.326 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HB2' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -171.24 132.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.901 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.39 161.28 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.45 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -167.11 140.16 3.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.824 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.89 160.67 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.5 t -71.87 -31.65 66.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.29 97.34 7.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.07 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 m -85.67 52.54 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -111.41 -26.73 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.087 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.35 -32.24 10.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.23 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.98 84.2 4.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.26 108.52 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.548 2.165 . . . . 0.0 112.214 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -155.75 60.49 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.759 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.457 ' CB ' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -169.51 148.98 3.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.91 -30.11 39.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.174 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 12.0 p90 -58.88 -42.92 90.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.299 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.521 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 9.4 p -74.45 -31.94 62.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -15.95 63.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.22 -19.82 9.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.737 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 p -74.81 -5.8 45.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.631 0.253 . . . . 0.0 111.309 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.76 179.46 7.1 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 111.347 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.37 179.34 4.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.17 107.52 0.87 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.253 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 94.8 Cg_endo -84.53 108.06 1.23 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.618 2.212 . . . . 0.0 112.398 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 44' ' ' PRO . 57.0 Cg_endo -70.81 -42.58 2.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.451 2.1 . . . . 0.0 112.175 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -145.8 157.87 50.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.8 Cg_endo -69.85 104.69 1.37 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.406 2.071 . . . . 0.0 112.324 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -98.47 135.21 40.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -84.44 -177.91 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.65 135.63 39.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 tp -112.28 -163.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.44 ' CB ' ' CD ' ' A' ' 53' ' ' PRO . 5.7 m95 -164.87 -64.54 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.012 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 52' ' ' TRP . 40.8 Cg_endo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.377 2.051 . . . . 0.0 112.185 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.811 0.339 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.4 -68.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 54.75 90.94 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.262 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.02 -25.23 44.41 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.486 2.124 . . . . 0.0 112.29 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.27 120.7 1.83 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.461 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -91.4 150.9 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.364 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.45 ' HB1' ' HD2' ' A' ' 8' ' ' PRO . . . -159.48 157.89 27.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HD2' ' HB1' ' A' ' 7' ' ' ALA . 57.1 Cg_endo -70.81 63.52 2.4 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.567 2.178 . . . . 0.0 112.269 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m 61.69 116.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.9 m -157.59 -45.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.92 96.42 5.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.83 48.59 11.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.539 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.8 m -149.29 174.09 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.699 0.285 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.37 152.75 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.962 0.411 . . . . 0.0 111.154 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.493 ' CG ' ' N ' ' A' ' 16' ' ' SER . 7.0 t-105 -79.55 164.79 23.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.494 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.493 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -140.51 140.67 35.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.963 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.69 -18.37 15.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.416 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -33.52 22.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.729 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -149.09 21.98 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 72.7 m-20 44.31 80.2 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.345 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.729 ' HB2' HD12 ' A' ' 19' ' ' LEU . 5.3 mttt -173.19 127.65 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.781 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.89 157.73 36.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -170.55 138.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.65 156.02 17.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 m -60.56 -32.09 71.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.96 95.93 6.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.39 -46.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -87.58 53.17 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 ttm105 -98.56 -34.0 10.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.13 -30.98 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.23 83.63 15.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.53 96.18 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.466 2.111 . . . . 0.0 112.268 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -159.77 62.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.01 -162.76 1.39 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.654 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.43 -38.47 3.01 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -59.62 -28.34 67.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.125 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.0 m -72.6 -36.39 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.803 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.49 -29.98 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.86 -30.42 26.34 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -69.97 -43.4 71.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.817 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.55 -171.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -167.22 147.02 5.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.051 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 60.38 96.81 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.15 110.5 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.397 2.065 . . . . 0.0 112.31 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.96 124.94 17.13 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.472 2.114 . . . . 0.0 112.209 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.544 ' HB1' ' HA ' ' A' ' 53' ' ' PRO . . . -108.33 121.22 44.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.68 174.03 10.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.453 2.102 . . . . 0.0 112.288 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -124.03 162.25 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 68.79 -68.5 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.33 125.07 29.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.783 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.97 176.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -104.36 148.7 36.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.544 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 52.6 Cg_exo . . . . . 0 C--O 1.249 1.048 0 C-N-CA 122.591 2.194 . . . . 0.0 112.274 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.742 0.306 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.94 155.52 20.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.8 149.31 53.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.63 -27.81 21.84 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.592 2.195 . . . . 0.0 112.343 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.21 159.38 19.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.36 154.91 39.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.58 142.8 11.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -78.27 56.79 5.94 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.561 2.174 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 94.7 m -65.72 -176.89 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m 68.68 -68.37 0.18 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.87 69.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.842 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.53 -75.72 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.376 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.4 p -73.85 -165.43 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.676 0.274 . . . . 0.0 110.755 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.49 146.05 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 111.27 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.471 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 26.0 t-105 -77.51 160.23 28.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.436 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.3 OUTLIER -135.74 143.13 45.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.783 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.66 -25.77 12.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.33 -30.92 52.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.809 ' O ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -142.34 17.74 2.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER 41.97 76.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.473 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -170.51 141.15 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.78 149.72 37.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.439 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -153.58 143.83 22.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.62 179.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.73 -16.98 59.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.264 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.72 107.6 18.69 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.799 0.333 . . . . 0.0 111.249 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.44 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.6 p -85.86 53.0 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 111.18 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -101.57 31.11 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.726 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.12 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.36 97.34 35.43 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.73 -166.9 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.397 2.065 . . . . 0.0 112.312 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 m80 65.28 58.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.77 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -129.49 118.29 21.86 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.959 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -24.99 67.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' A' ' 34' ' ' SER . 42.9 p90 -80.41 -1.8 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.581 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.4 m -109.82 -41.04 4.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.734 HD12 ' N ' ' A' ' 39' ' ' GLY . 4.4 pp -64.23 -28.68 69.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.561 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.734 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -85.89 -25.21 38.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.356 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.1 t -91.55 23.64 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 111.202 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.08 -58.95 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -175.99 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.75 91.32 38.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.93 157.78 57.2 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.487 2.124 . . . . 0.0 112.244 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.21 122.5 10.75 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.565 2.177 . . . . 0.0 112.26 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.43 90.78 49.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.43 -172.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.523 2.148 . . . . 0.0 112.386 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -69.71 118.14 12.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -110.43 -54.32 2.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 tp -110.29 117.59 34.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.26 162.32 21.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -140.03 153.35 69.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo . . . . . 0 C--O 1.25 1.104 0 C-N-CA 122.558 2.172 . . . . 0.0 112.283 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.821 0.343 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -89.96 172.46 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -69.45 -61.16 3.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 56.1 Cg_endo -70.53 -173.54 0.85 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.489 2.126 . . . . 0.0 112.3 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.92 91.12 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 t -129.8 175.22 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 62.65 53.53 1.99 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.91 57.21 6.0 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.712 2.275 . . . . 0.0 112.307 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.25 -67.6 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -57.63 152.56 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 60.7 101.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.97 -100.79 1.81 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.677 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -57.85 -168.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.117 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.5 m -153.79 143.57 21.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.479 ' CG ' ' N ' ' A' ' 16' ' ' SER . 15.0 t-105 -66.84 164.07 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.758 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -143.1 116.97 9.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.768 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.97 -23.73 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.205 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.42 -27.38 24.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.158 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.616 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -150.86 22.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.393 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.438 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 21.3 m-20 44.49 79.5 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.533 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.616 ' HB2' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -176.27 150.35 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.89 141.17 28.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.745 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.7 tpt -138.67 135.7 35.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.804 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.19 162.27 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -75.15 -30.18 60.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.84 61.96 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.0 0.429 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.3 59.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.643 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.19 45.35 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.338 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.53 -31.32 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.08 0.467 . . . . 0.0 110.309 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.616 ' O ' ' HD2' ' A' ' 32' ' ' PRO . . . -78.54 -23.0 46.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.912 ' HB3' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER 54.87 -97.85 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 118.486 -0.768 . . . . 0.0 111.706 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.912 ' CD ' ' HB3' ' A' ' 31' ' ' ARG . 55.4 Cg_endo -68.78 71.08 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 CA-C-N 121.726 1.652 . . . . 0.0 112.089 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.16 40.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.407 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 3.1 m -168.76 133.92 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.38 -31.2 62.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 15.8 p90 -65.74 -33.8 76.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.016 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -68.42 -31.62 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.797 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -30.31 69.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.85 -43.09 6.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.425 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.79 -26.69 63.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.311 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.45 82.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 64.39 -78.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.93 80.47 1.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.53 154.69 55.22 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.653 2.235 . . . . 0.0 112.302 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.77 157.1 59.36 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.569 2.179 . . . . 0.0 112.212 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -145.79 145.44 25.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.95 143.95 80.43 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.49 2.127 . . . . 0.0 112.26 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.409 ' O ' ' N ' ' A' ' 50' ' ' LEU . 59.9 t80 -92.1 88.69 6.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.778 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.23 -66.94 0.18 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' PHE . 0.6 OUTLIER 67.21 -74.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 pp -130.36 177.8 7.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.409 ' CB ' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 178.38 -54.09 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 52' ' ' TRP . 55.5 Cg_exo . . . . . 0 C--O 1.25 1.084 0 C-N-CA 122.396 2.064 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.805 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.35 156.36 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.81 140.85 67.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.94 -44.67 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.88 66.06 2.47 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.504 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 m -116.7 119.37 35.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -137.05 156.86 75.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -66.78 66.83 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.832 2.354 . . . . 0.0 112.207 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.82 111.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -155.83 94.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -163.71 -67.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.38 30.01 0.18 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.627 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -141.23 149.04 40.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.859 0.361 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 p -82.84 -177.63 6.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.227 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.459 ' CH2' ' HA ' ' A' ' 20' ' ' ASP . 37.0 t-105 -118.55 158.3 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.511 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.58 130.24 29.91 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.16 -21.14 18.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.273 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.11 -32.97 24.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.81 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -148.67 22.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.086 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 4.2 m-20 43.85 80.69 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.337 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.763 ' HB2' HD12 ' A' ' 19' ' ' LEU . 10.3 mttp -171.81 127.91 0.62 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.5 m -57.94 167.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.429 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -162.31 126.85 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.922 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.49 150.16 32.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -28.6 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.57 -0.63 57.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.621 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -64.5 -16.6 62.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.659 0.266 . . . . 0.0 111.281 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.4 m -84.7 53.01 2.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.905 0.384 . . . . 0.0 111.039 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -96.41 40.77 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.86 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.28 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.02 87.94 23.18 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.46 59.62 6.2 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.572 2.181 . . . . 0.0 112.394 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.83 59.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.87 -163.06 1.1 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.635 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -75.02 -53.97 7.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.429 ' CD2' ' HB3' ' A' ' 23' ' ' MET . 48.5 p90 -63.48 -27.08 69.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.42 -31.51 48.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.68 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.88 -31.38 70.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.78 -29.03 7.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.434 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.41 22.06 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.73 -34.58 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.271 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.5 72.93 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.309 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 44' ' ' PRO . . . -177.45 64.33 0.2 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.309 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 43' ' ' ALA . 12.8 Cg_exo -70.13 110.59 2.67 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.706 2.271 . . . . 0.0 112.247 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.39 -172.28 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.511 2.141 . . . . 0.0 112.158 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -162.25 67.9 2.05 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.053 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.33 138.95 73.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.616 2.211 . . . . 0.0 112.399 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 58.83 175.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.027 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.11 32.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -122.8 165.13 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 50' ' ' LEU . 4.2 mm? -106.81 176.44 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.0 m95 60.23 105.83 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo . . . . . 0 C--O 1.249 1.036 0 C-N-CA 122.46 2.107 . . . . 0.0 112.312 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.87 0.367 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.54 156.45 48.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.986 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.93 61.64 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.12 -46.18 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.549 2.166 . . . . 0.0 112.294 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -154.1 -176.14 26.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.2 m -119.4 -77.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.999 0.428 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.652 ' HB1' ' HD2' ' A' ' 8' ' ' PRO . . . -158.16 165.25 19.0 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.652 ' HD2' ' HB1' ' A' ' 7' ' ' ALA . 72.9 Cg_endo -74.94 67.42 5.88 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.592 2.195 . . . . 0.0 112.263 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t 70.5 117.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.3 -162.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.803 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -93.96 26.27 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.031 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.44 28.0 0.38 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.209 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -94.02 -165.33 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.927 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.68 148.57 42.55 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.922 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CG ' ' N ' ' A' ' 16' ' ' SER . 6.0 t-105 -76.89 164.49 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.555 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -143.34 141.21 30.87 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.976 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.61 -20.91 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.33 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -54.18 -35.54 62.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.797 ' O ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -137.57 17.62 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.08 0.467 . . . . 0.0 111.208 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 3.1 m-20 45.64 70.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.424 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.6 176.55 8.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.67 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.77 146.95 39.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 36' ' ' PHE . 3.1 tpt -165.28 135.1 3.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -57.36 152.1 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 7.0 p -86.4 -35.16 19.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.071 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.97 -27.59 2.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.371 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -59.7 -40.32 87.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 p -86.52 52.71 2.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.961 0.41 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -96.55 36.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.12 -41.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.3 86.53 57.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.747 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.73 110.55 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.614 2.209 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -159.04 59.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.464 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -165.65 141.93 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.64 -38.7 80.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.083 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 20.8 p90 -59.17 -21.87 60.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.335 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -80.78 -38.47 28.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.937 0.398 . . . . 0.0 110.557 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -27.98 68.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.653 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.97 -26.58 31.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.429 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 3.9 t -61.01 -28.28 68.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.18 117.63 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -119.87 -42.56 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.34 66.79 2.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.488 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 32.1 Cg_exo -57.12 -45.68 33.93 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.574 2.183 . . . . 0.0 112.489 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 44' ' ' PRO . 67.3 Cg_exo -51.17 168.96 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.336 2.024 . . . . 0.0 112.365 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.8 103.81 15.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.66 170.86 13.0 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.404 2.069 . . . . 0.0 112.345 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -110.77 80.18 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 60.48 93.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.5 tt -103.18 23.18 12.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.77 167.06 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.826 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 24.2 m95 60.57 89.5 0.1 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.544 2.163 . . . . 0.0 112.29 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.786 0.326 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.69 80.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -86.72 -52.69 0.43 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 32.0 Cg_exo -58.35 123.49 13.73 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.431 2.087 . . . . 0.0 112.196 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.07 -142.59 15.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.569 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t -106.21 -24.42 12.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.354 . . . . 0.0 111.159 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 63.02 128.18 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.53 61.72 4.4 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.442 2.095 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -176.44 -60.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.1 m 60.97 175.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.65 -67.69 0.2 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.36 44.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.536 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.0 152.64 23.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.334 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.7 p -88.8 144.2 26.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.287 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.472 ' CZ2' ' HA ' ' A' ' 20' ' ' ASP . 25.4 t-105 -76.65 160.93 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.505 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.439 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -139.09 115.92 10.8 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.95 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.27 -23.75 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -30.13 56.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.09 19.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.282 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.472 ' HA ' ' CZ2' ' A' ' 15' ' ' TRP . 11.8 m-20 41.67 78.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.558 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.6 130.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.54 162.09 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 ttt -166.79 135.78 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.52 154.86 13.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.5 t -58.24 -20.53 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.298 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.0 -145.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.1 -64.08 0.39 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.698 0.285 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.8 m -84.58 52.86 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -83.93 1.89 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.359 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.8 -48.18 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.817 0.341 . . . . 0.0 111.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -108.89 85.9 3.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.51 107.01 2.29 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.586 2.191 . . . . 0.0 112.264 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -155.8 60.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.406 ' HG ' ' HE2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -153.11 -162.6 1.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -114.81 -40.88 3.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 37' ' ' CYS . 54.4 p90 -62.46 -47.63 83.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 36' ' ' PHE . 27.7 p -77.96 -27.44 49.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.46 -15.51 62.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.287 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.42 -29.16 3.27 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.767 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.0 p -62.45 -33.59 75.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.949 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.42 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.267 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -174.09 132.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.74 118.55 67.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 37.8 Cg_endo -66.22 109.73 1.61 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.367 2.045 . . . . 0.0 112.172 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 44' ' ' PRO . 40.5 Cg_endo -67.34 -168.09 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.45 2.1 . . . . 0.0 112.32 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.93 154.73 86.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 38.1 Cg_endo -66.59 -164.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.589 2.193 . . . . 0.0 112.174 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 47' ' ' PRO . 4.6 m-85 66.72 -71.41 0.1 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 69.46 -67.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mt -125.87 -60.07 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mt -175.65 161.32 2.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -115.37 160.94 32.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo . . . . . 0 C--O 1.249 1.03 0 C-N-CA 122.647 2.231 . . . . 0.0 112.27 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.914 0.388 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -97.22 158.56 15.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . . . -87.67 -52.75 0.4 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 3' ' ' ALA . 52.3 Cg_exo -52.51 -175.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.484 2.122 . . . . 0.0 112.31 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.82 -45.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 m -89.54 -8.17 53.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.614 0.245 . . . . 0.0 111.225 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . . . -69.14 -60.31 4.34 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 120.644 0.259 . . . . 0.0 111.364 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 7' ' ' ALA . 50.7 Cg_endo -69.0 56.26 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.541 2.161 . . . . 0.0 112.445 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.7 p -179.58 70.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -153.25 43.01 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.5 -56.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.2 29.04 1.66 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.2 p -94.18 -164.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.723 0.296 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -155.34 126.37 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.058 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 16' ' ' SER . 20.4 t-105 -57.97 162.42 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.739 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.475 ' N ' ' CG ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -142.52 126.59 17.37 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.15 -21.84 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.299 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -30.42 38.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HE2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -147.0 20.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER 42.39 79.75 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.674 179.654 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HE2' HD22 ' A' ' 19' ' ' LEU . 9.7 pttt -178.71 134.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.0 p -62.91 160.09 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.11 125.73 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.49 163.68 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -30.32 67.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.39 77.66 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -166.06 -42.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.7 p -107.71 52.65 0.71 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.977 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -97.36 38.03 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.46 -42.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.47 87.38 36.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.2 103.87 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.608 2.205 . . . . 0.0 112.298 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -158.04 61.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.456 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 48.2 m -167.56 145.13 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -57.02 -43.45 81.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.199 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 34' ' ' SER . 9.8 p90 -60.26 -27.48 67.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.071 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 3.2 t -78.33 -37.19 45.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.43 HD23 HD23 ' A' ' 51' ' ' LEU . 1.9 tp -58.8 -29.48 66.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.43 -39.9 4.92 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.664 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.1 t -76.67 -54.8 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 37' ' ' CYS . . . -60.86 -173.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.282 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.34 -84.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.267 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.87 57.43 16.11 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-O 120.788 0.327 . . . . 0.0 111.225 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.84 154.96 70.13 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.581 2.187 . . . . 0.0 112.422 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.71 -65.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.64 2.227 . . . . 0.0 112.318 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.19 77.91 74.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.09 -167.83 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.602 2.201 . . . . 0.0 112.397 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.82 113.2 7.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 62.33 74.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.773 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -66.42 136.49 55.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.009 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.43 HD23 HD23 ' A' ' 38' ' ' LEU . 1.3 mt 58.04 179.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.564 ' N ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER 173.5 64.55 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.527 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.668 2.246 . . . . 0.0 112.247 -179.961 . . . . . . . . 0 0 . 1 stop_ save_